(2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylpentanamide;(2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylsulfanylbutanamide;(2S)-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,3-dimethylbutanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,2-dimethylpropanamide

C82H114N22O8S — CID 161494535

IUPAC(2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylpentanamide;(2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylsulfanylbutanamide;(2S)-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,3-dimethylbutanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,2-dimethylpropanamide
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CCNC(=O)C(C)(C)C.CCOCc1nc2c(N)nc3ccccc3c2n1CCNC(=O)[C@@H](C)C(C)C.CCOCc1nc2c(N)nc3ccccc3c2n1CCNC(=O)[C@@H](N)CC(C)C.CCOCc1nc2c(N)nc3ccccc3c2n1CCNC(=O)[C@@H](N)CCSC
InChIInChI=1S/C21H30N6O2.C21H29N5O2.C20H28N6O2S.C20H27N5O2/c1-4-29-12-17-26-18-19(14-7-5-6-8-16(14)25-20(18)23)27(17)10-9-24-21(28)15(22)11-13(2)3;1-5-28-12-17-25-18-19(15-8-6-7-9-16(15)24-20(18)22)26(17)11-10-23-21(27)14(4)13(2)3;1-3-28-12-16-25-17-18(13-6-4-5-7-15(13)24-19(17)22)26(16)10-9-23-20(27)14(21)8-11-29-2;1-5-27-12-15-24-16-17(13-8-6-7-9-14(13)23-18(16)21)25(15)11-10-22-19(26)20(2,3)4/h5-8,13,15H,4,9-12,22H2,1-3H3,(H2,23,25)(H,24,28);6-9,13-14H,5,10-12H2,1-4H3,(H2,22,24)(H,23,27);4-7,14H,3,8-12,21H2,1-2H3,(H2,22,24)(H,23,27);6-9H,5,10-12H2,1-4H3,(H2,21,23)(H,22,26)/t15-;2*14-;/m000./s1
InChIKeyWGAIMAGPXTUXTA-YUHDDCPOSA-N
MW1568.03 g/mol
LogP10.07
Rot. Bonds33

About (2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylpentanamide;(2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylsulfanylbutanamide;(2S)-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,3-dimethylbutanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,2-dimethylpropanamide

(2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylpentanamide;(2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylsulfanylbutanamide;(2S)-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,3-dimethylbutanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,2-dimethylpropanamide (PubChem CID 161494535) has the molecular formula C82H114N22O8S and a molecular weight of 1568.03 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylpentanamide;(2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylsulfanylbutanamide;(2S)-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,3-dimethylbutanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylpentanamide;(2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylsulfanylbutanamide;(2S)-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,3-dimethylbutanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,2-dimethylpropanamide
PubChem CID161494535
Molecular FormulaC82H114N22O8S
Molecular Weight1568.03 g/mol
Exact Mass1566.89
IUPAC Name(2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylpentanamide;(2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylsulfanylbutanamide;(2S)-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,3-dimethylbutanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,2-dimethylpropanamide
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CCNC(=O)C(C)(C)C.CCOCc1nc2c(N)nc3ccccc3c2n1CCNC(=O)[C@@H](C)C(C)C.CCOCc1nc2c(N)nc3ccccc3c2n1CCNC(=O)[C@@H](N)CC(C)C.CCOCc1nc2c(N)nc3ccccc3c2n1CCNC(=O)[C@@H](N)CCSC
InChIInChI=1S/C21H30N6O2.C21H29N5O2.C20H28N6O2S.C20H27N5O2/c1-4-29-12-17-26-18-19(14-7-5-6-8-16(14)25-20(18)23)27(17)10-9-24-21(28)15(22)11-13(2)3;1-5-28-12-17-25-18-19(15-8-6-7-9-16(15)24-20(18)22)26(17)11-10-23-21(27)14(4)13(2)3;1-3-28-12-16-25-17-18(13-6-4-5-7-15(13)24-19(17)22)26(16)10-9-23-20(27)14(21)8-11-29-2;1-5-27-12-15-24-16-17(13-8-6-7-9-14(13)23-18(16)21)25(15)11-10-22-19(26)20(2,3)4/h5-8,13,15H,4,9-12,22H2,1-3H3,(H2,23,25)(H,24,28);6-9,13-14H,5,10-12H2,1-4H3,(H2,22,24)(H,23,27);4-7,14H,3,8-12,21H2,1-2H3,(H2,22,24)(H,23,27);6-9H,5,10-12H2,1-4H3,(H2,21,23)(H,22,26)/t15-;2*14-;/m000./s1
InChIKeyWGAIMAGPXTUXTA-YUHDDCPOSA-N
XLogP10.07
TPSA432.28 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds33
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001568.03
LogP ≤ 510.07
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Analyze (2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylpentanamide;(2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylsulfanylbutanamide;(2S)-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,3-dimethylbutanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,2-dimethylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylpentanamide;(2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylsulfanylbutanamide;(2S)-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,3-dimethylbutanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of (2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylpentanamide;(2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylsulfanylbutanamide;(2S)-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,3-dimethylbutanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,2-dimethylpropanamide (CID 161494535) is (2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylpentanamide;(2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylsulfanylbutanamide;(2S)-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,3-dimethylbutanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylpentanamide;(2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylsulfanylbutanamide;(2S)-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,3-dimethylbutanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylpentanamide;(2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylsulfanylbutanamide;(2S)-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,3-dimethylbutanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,2-dimethylpropanamide is CCOCc1nc2c(N)nc3ccccc3c2n1CCNC(=O)C(C)(C)C.CCOCc1nc2c(N)nc3ccccc3c2n1CCNC(=O)[C@@H](C)C(C)C.CCOCc1nc2c(N)nc3ccccc3c2n1CCNC(=O)[C@@H](N)CC(C)C.CCOCc1nc2c(N)nc3ccccc3c2n1CCNC(=O)[C@@H](N)CCSC.
What is the InChIKey of (2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylpentanamide;(2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylsulfanylbutanamide;(2S)-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,3-dimethylbutanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,2-dimethylpropanamide?
The InChIKey is WGAIMAGPXTUXTA-YUHDDCPOSA-N. The full InChI is InChI=1S/C21H30N6O2.C21H29N5O2.C20H28N6O2S.C20H27N5O2/c1-4-29-12-17-26-18-19(14-7-5-6-8-16(14)25-20(18)23)27(17)10-9-24-21(28)15(22)11-13(2)3;1-5-28-12-17-25-18-19(15-8-6-7-9-16(15)24-20(18)22)26(17)11-10-23-21(27)14(4)13(2)3;1-3-28-12-16-25-17-18(13-6-4-5-7-15(13)24-19(17)22)26(16)10-9-23-20(27)14(21)8-11-29-2;1-5-27-12-15-24-16-17(13-8-6-7-9-14(13)23-18(16)21)25(15)11-10-22-19(26)20(2,3)4/h5-8,13,15H,4,9-12,22H2,1-3H3,(H2,23,25)(H,24,28);6-9,13-14H,5,10-12H2,1-4H3,(H2,22,24)(H,23,27);4-7,14H,3,8-12,21H2,1-2H3,(H2,22,24)(H,23,27);6-9H,5,10-12H2,1-4H3,(H2,21,23)(H,22,26)/t15-;2*14-;/m000./s1.
What are the key properties of (2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylpentanamide;(2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylsulfanylbutanamide;(2S)-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,3-dimethylbutanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,2-dimethylpropanamide?
(2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylpentanamide;(2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylsulfanylbutanamide;(2S)-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,3-dimethylbutanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 1568.03 g/mol, XLogP of 10.07, 33 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylpentanamide;(2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-methylsulfanylbutanamide;(2S)-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,3-dimethylbutanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 161494535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).