ethyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate

C33H31N5O4 — CID 58379659

IUPACethyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(-c3cnc4ccccc4c3)nc2c1NC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C33H31N5O4/c1-2-41-32(39)26-20-35-29-13-12-28(24-18-23-10-6-7-11-27(23)34-19-24)37-31(29)30(26)36-25-14-16-38(17-15-25)33(40)42-21-22-8-4-3-5-9-22/h3-13,18-20,25H,2,14-17,21H2,1H3,(H,35,36)
InChIKeyDZTFMKBUHAAKMV-UHFFFAOYSA-N
MW561.64 g/mol
LogP6.23
Rot. Bonds7

About ethyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate

ethyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate (PubChem CID 58379659) has the molecular formula C33H31N5O4 and a molecular weight of 561.64 g/mol. Its IUPAC name is ethyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate
PubChem CID58379659
Molecular FormulaC33H31N5O4
Molecular Weight561.64 g/mol
Exact Mass561.24
IUPAC Nameethyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(-c3cnc4ccccc4c3)nc2c1NC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C33H31N5O4/c1-2-41-32(39)26-20-35-29-13-12-28(24-18-23-10-6-7-11-27(23)34-19-24)37-31(29)30(26)36-25-14-16-38(17-15-25)33(40)42-21-22-8-4-3-5-9-22/h3-13,18-20,25H,2,14-17,21H2,1H3,(H,35,36)
InChIKeyDZTFMKBUHAAKMV-UHFFFAOYSA-N
XLogP6.23
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.64
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate with MolForge

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Related Compounds

Ethyl 4-((4-(diethylamino)phenyl)amino)-6-methylquinoline-3-carboxylate
CID 1568449
ethyl 4-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzoate
CID 53492819
Ethyl 6-methyl-4-{[4-(4-morpholinyl)phenyl]amino}-3-quinolinecarboxylate
CID 1190554
Ethyl 8-oxo-6,10,20-triazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2(7),3,5,9,11,13(21),14,16,18-decaene-4-carboxylate
CID 11100338
Ethyl 4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride
CID 13038515
Ethyl 8-methyl-4-{[2-(4-morpholinyl)ethyl]amino}-3-quinolinecarboxylate
CID 702832
Ethyl 4-[(4-acetylphenyl)amino]quinoline-3-carboxylate
CID 731738
Diethyl 4-{[2-(dimethylamino)ethyl]amino}-3,6-quinolinedicarboxylate
CID 1078338
3-Ethyl 6-methyl 4-[(2-ethylphenyl)amino]quinoline-3,6-dicarboxylate
CID 1187581
4-(4-Morpholin-4-yl-phenylamino)-quinoline-3,6-dicarboxylic acid diethyl ester
CID 1190175
3-O-ethyl 6-O-methyl 4-(3-morpholin-4-ylpropylamino)quinoline-3,6-dicarboxylate
CID 1569306
4-[[Oxo-[2-(2-pyridinyl)-4-quinolinyl]methyl]amino]benzoic acid methyl ester
CID 2220860

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate (CID 58379659) is ethyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate is CCOC(=O)c1cnc2ccc(-c3cnc4ccccc4c3)nc2c1NC1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of ethyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate?
The InChIKey is DZTFMKBUHAAKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N5O4/c1-2-41-32(39)26-20-35-29-13-12-28(24-18-23-10-6-7-11-27(23)34-19-24)37-31(29)30(26)36-25-14-16-38(17-15-25)33(40)42-21-22-8-4-3-5-9-22/h3-13,18-20,25H,2,14-17,21H2,1H3,(H,35,36).
What are the key properties of ethyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate?
ethyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate has a molecular weight of 561.64 g/mol, XLogP of 6.23, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 58379659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).