1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea

C24H24N4O4 — CID 122187746

IUPAC1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea
SMILESCOc1cc(NC(=O)Nc2cccc3c2[C@@H]2C[C@H](OC)CCN2C3=O)nc2ccccc12
InChIInChI=1S/C24H24N4O4/c1-31-14-10-11-28-19(12-14)22-16(23(28)29)7-5-9-18(22)26-24(30)27-21-13-20(32-2)15-6-3-4-8-17(15)25-21/h3-9,13-14,19H,10-12H2,1-2H3,(H2,25,26,27,30)/t14-,19+/m1/s1
InChIKeyMCDDSXAEWCHNQW-KUHUBIRLSA-N
MW432.48 g/mol
LogP4.19
Rot. Bonds4

About 1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea

1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea (PubChem CID 122187746) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea.

Molecular Properties

Compound Name1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea
PubChem CID122187746
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea
SMILESCOc1cc(NC(=O)Nc2cccc3c2[C@@H]2C[C@H](OC)CCN2C3=O)nc2ccccc12
InChIInChI=1S/C24H24N4O4/c1-31-14-10-11-28-19(12-14)22-16(23(28)29)7-5-9-18(22)26-24(30)27-21-13-20(32-2)15-6-3-4-8-17(15)25-21/h3-9,13-14,19H,10-12H2,1-2H3,(H2,25,26,27,30)/t14-,19+/m1/s1
InChIKeyMCDDSXAEWCHNQW-KUHUBIRLSA-N
XLogP4.19
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea with MolForge

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Related Compounds

3-methoxy-N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]benzamide
CID 4219491
N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-methoxybenzamide
CID 15987793
7-[4-(3,4-Dimethoxybenzoyl)piperazin-1-yl]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 13987624
[4-(2,4-Diaminoquinazolin-5-yloxymethyl)piperidin-1-yl]-o-tolylmethanone
CID 25002416
4-Methoxyevodiamine
CID 56967938
1-(4-methoxyquinolin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 67284820
1-(4-Methoxyquinolin-2-yl)-3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)urea
CID 67471492
2-(2,5-dimethoxyanilino)-N-[3-(4-morpholinyl)propyl]-4-quinolinecarboxamide
CID 3243515
2-[(2-Methoxyphenyl)amino]-N-[3-(morpholin-4-YL)propyl]quinoline-4-carboxamide
CID 5308129
Ethyl 1-[2-(4-methoxyanilino)quinoline-4-carbonyl]piperidine-3-carboxylate
CID 6622065
2-[(3,4-Dimethoxyphenyl)amino]-N-[3-(morpholin-4-YL)propyl]quinoline-4-carboxamide
CID 9551021
N-[2-(diethylamino)-4-methylquinolin-6-yl]-2-methoxybenzamide
CID 15987777

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea?
The IUPAC name of 1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea (CID 122187746) is 1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea.
What is the SMILES notation for 1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea?
The canonical SMILES for 1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea is COc1cc(NC(=O)Nc2cccc3c2[C@@H]2C[C@H](OC)CCN2C3=O)nc2ccccc12.
What is the InChIKey of 1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea?
The InChIKey is MCDDSXAEWCHNQW-KUHUBIRLSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-31-14-10-11-28-19(12-14)22-16(23(28)29)7-5-9-18(22)26-24(30)27-21-13-20(32-2)15-6-3-4-8-17(15)25-21/h3-9,13-14,19H,10-12H2,1-2H3,(H2,25,26,27,30)/t14-,19+/m1/s1.
What are the key properties of 1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea?
1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea has a molecular weight of 432.48 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(4-methoxyquinolin-2-yl)urea is sourced from PubChem (CID 122187746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).