(2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]butanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]propanamide;N-[2-[4-amino-2-(methoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]propanamide;carbon dioxide;2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-4-amine;propane

C72H94N20O9 — CID 160964664

About (2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]butanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]propanamide;N-[2-[4-amino-2-(methoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]propanamide;carbon dioxide;2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-4-amine;propane

(2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]butanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]propanamide;N-[2-[4-amino-2-(methoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]propanamide;carbon dioxide;2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-4-amine;propane (PubChem CID 160964664) has the molecular formula C72H94N20O9 and a molecular weight of 1383.67 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]butanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]propanamide;N-[2-[4-amino-2-(methoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]propanamide;carbon dioxide;2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-4-amine;propane.

Molecular Properties

• Compound Name: (2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]butanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]propanamide;N-[2-[4-amino-2-(methoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]propanamide;carbon dioxide;2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-4-amine;propane
• PubChem CID: 160964664
• Molecular Formula: C72H94N20O9
• Molecular Weight: 1383.67 g/mol
• Exact Mass: 1382.75
• IUPAC Name: (2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]butanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]propanamide;N-[2-[4-amino-2-(methoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]propanamide;carbon dioxide;2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-4-amine;propane
• SMILES: CCC.CCC(=O)NCCn1c(COC)nc2c(N)nc3ccccc3c21.CCOCc1nc2c(N)nc3ccccc3c2n1C.CCOCc1nc2c(N)nc3ccccc3c2n1CCNC(=O)CC.CCOCc1nc2c(N)nc3ccccc3c2n1CCNC(=O)[C@@H](N)CC.O=C=O
• InChI: InChI=1S/C19H26N6O2.C18H23N5O2.C17H21N5O2.C14H16N4O.C3H8.CO2/c1-3-13(20)19(26)22-9-10-25-15(11-27-4-2)24-16-17(25)12-7-5-6-8-14(12)23-18(16)21;1-3-15(24)20-9-10-23-14(11-25-4-2)22-16-17(23)12-7-5-6-8-13(12)21-18(16)19;1-3-14(23)19-8-9-22-13(10-24-2)21-15-16(22)11-6-4-5-7-12(11)20-17(15)18;1-3-19-8-11-17-12-13(18(11)2)9-6-4-5-7-10(9)16-14(12)15;1-3-2;2-1-3/h5-8,13H,3-4,9-11,20H2,1-2H3,(H2,21,23)(H,22,26);5-8H,3-4,9-11H2,1-2H3,(H2,19,21)(H,20,24);4-7H,3,8-10H2,1-2H3,(H2,18,20)(H,19,23);4-7H,3,8H2,1-2H3,(H2,15,16);3H2,1-2H3;/t13-;;;;;/m0...../s1
• InChIKey: SXLOGNWTFRKXTN-VFZNITTPSA-N
• XLogP: 8.70
• TPSA: 411.30 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 24
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1383.67
LogP ≤ 5	8.70
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

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]butanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]propanamide;N-[2-[4-amino-2-(methoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]propanamide;carbon dioxide;2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-4-amine;propane?

The IUPAC name of (2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]butanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]propanamide;N-[2-[4-amino-2-(methoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]propanamide;carbon dioxide;2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-4-amine;propane (CID 160964664) is (2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]butanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]propanamide;N-[2-[4-amino-2-(methoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]propanamide;carbon dioxide;2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-4-amine;propane.

What is the SMILES notation for (2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]butanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]propanamide;N-[2-[4-amino-2-(methoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]propanamide;carbon dioxide;2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-4-amine;propane?

The canonical SMILES for (2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]butanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]propanamide;N-[2-[4-amino-2-(methoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]propanamide;carbon dioxide;2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-4-amine;propane is CCC.CCC(=O)NCCn1c(COC)nc2c(N)nc3ccccc3c21.CCOCc1nc2c(N)nc3ccccc3c2n1C.CCOCc1nc2c(N)nc3ccccc3c2n1CCNC(=O)CC.CCOCc1nc2c(N)nc3ccccc3c2n1CCNC(=O)[C@@H](N)CC.O=C=O.

What is the InChIKey of (2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]butanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]propanamide;N-[2-[4-amino-2-(methoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]propanamide;carbon dioxide;2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-4-amine;propane?

The InChIKey is SXLOGNWTFRKXTN-VFZNITTPSA-N. The full InChI is InChI=1S/C19H26N6O2.C18H23N5O2.C17H21N5O2.C14H16N4O.C3H8.CO2/c1-3-13(20)19(26)22-9-10-25-15(11-27-4-2)24-16-17(25)12-7-5-6-8-14(12)23-18(16)21;1-3-15(24)20-9-10-23-14(11-25-4-2)22-16-17(23)12-7-5-6-8-13(12)21-18(16)19;1-3-14(23)19-8-9-22-13(10-24-2)21-15-16(22)11-6-4-5-7-12(11)20-17(15)18;1-3-19-8-11-17-12-13(18(11)2)9-6-4-5-7-10(9)16-14(12)15;1-3-2;2-1-3/h5-8,13H,3-4,9-11,20H2,1-2H3,(H2,21,23)(H,22,26);5-8H,3-4,9-11H2,1-2H3,(H2,19,21)(H,20,24);4-7H,3,8-10H2,1-2H3,(H2,18,20)(H,19,23);4-7H,3,8H2,1-2H3,(H2,15,16);3H2,1-2H3;/t13-;;;;;/m0...../s1.

What are the key properties of (2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]butanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]propanamide;N-[2-[4-amino-2-(methoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]propanamide;carbon dioxide;2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-4-amine;propane?

(2S)-2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]butanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]propanamide;N-[2-[4-amino-2-(methoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]propanamide;carbon dioxide;2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-4-amine;propane has a molecular weight of 1383.67 g/mol, XLogP of 8.70, 24 rotatable bonds, 8 hydrogen bond donors, and 26 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]butanamide;N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]propanamide;N-[2-[4-amino-2-(methoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]propanamide;carbon dioxide;2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-4-amine;propane is sourced from PubChem (CID 160964664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).