2-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide

C20H23N5O2 — CID 77089489

IUPAC2-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
SMILESNc1nc2c(c(C(=O)NCc3ccc(N4CCCC4=O)cc3)n1)CCCC2
InChIInChI=1S/C20H23N5O2/c21-20-23-16-5-2-1-4-15(16)18(24-20)19(27)22-12-13-7-9-14(10-8-13)25-11-3-6-17(25)26/h7-10H,1-6,11-12H2,(H,22,27)(H2,21,23,24)
InChIKeyCLOXMKJRTGNCIP-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.99
Rot. Bonds4

About 2-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide

2-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide (PubChem CID 77089489) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
PubChem CID77089489
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
SMILESNc1nc2c(c(C(=O)NCc3ccc(N4CCCC4=O)cc3)n1)CCCC2
InChIInChI=1S/C20H23N5O2/c21-20-23-16-5-2-1-4-15(16)18(24-20)19(27)22-12-13-7-9-14(10-8-13)25-11-3-6-17(25)26/h7-10H,1-6,11-12H2,(H,22,27)(H2,21,23,24)
InChIKeyCLOXMKJRTGNCIP-UHFFFAOYSA-N
XLogP1.99
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide with MolForge

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
2-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589720
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 165424880
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide
CID 8588320
4-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenoxy]benzamide
CID 56545380
2-(2-aminoethyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120618851
2-amino-4-ethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 77098065
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 50944989
2,5-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiophene-3-carboxamide
CID 39997103
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
2-(4-aminophenyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 119749209
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The IUPAC name of 2-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide (CID 77089489) is 2-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The canonical SMILES for 2-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide is Nc1nc2c(c(C(=O)NCc3ccc(N4CCCC4=O)cc3)n1)CCCC2.
What is the InChIKey of 2-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The InChIKey is CLOXMKJRTGNCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c21-20-23-16-5-2-1-4-15(16)18(24-20)19(27)22-12-13-7-9-14(10-8-13)25-11-3-6-17(25)26/h7-10H,1-6,11-12H2,(H,22,27)(H2,21,23,24).
What are the key properties of 2-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
2-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide is sourced from PubChem (CID 77089489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).