N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide

C23H25N5O2 — CID 167804968

IUPACN-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide
SMILESO=C(NCc1cc2c([nH]c1=O)CCCC2)C1CCCN1c1ncnc2ccccc12
InChIInChI=1S/C23H25N5O2/c29-22-16(12-15-6-1-3-8-18(15)27-22)13-24-23(30)20-10-5-11-28(20)21-17-7-2-4-9-19(17)25-14-26-21/h2,4,7,9,12,14,20H,1,3,5-6,8,10-11,13H2,(H,24,30)(H,27,29)
InChIKeyMKDZMHFZGVFYDK-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.48
Rot. Bonds4

About N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide

N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide (PubChem CID 167804968) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide
PubChem CID167804968
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide
SMILESO=C(NCc1cc2c([nH]c1=O)CCCC2)C1CCCN1c1ncnc2ccccc12
InChIInChI=1S/C23H25N5O2/c29-22-16(12-15-6-1-3-8-18(15)27-22)13-24-23(30)20-10-5-11-28(20)21-17-7-2-4-9-19(17)25-14-26-21/h2,4,7,9,12,14,20H,1,3,5-6,8,10-11,13H2,(H,24,30)(H,27,29)
InChIKeyMKDZMHFZGVFYDK-UHFFFAOYSA-N
XLogP2.48
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 71844898
3-(4-quinazolin-4-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 56911668
N-(1-phenylethyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 110436322
N-(4-acetylphenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 42884115
N-(4-chloro-2-fluorophenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 42930849
(3-methylpiperidin-1-yl)-(1-quinazolin-4-ylpyrrolidin-2-yl)methanone
CID 110437049
N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1-prop-2-enoylazetidine-3-carboxamide
CID 154876961
N-(3,3-difluoropropyl)-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 167772955
(2R)-1-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 97427865
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 71911502
5-[[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110710
4-(2-carboxypyrrolidin-1-yl)quinazoline-7-carboxylic acid;hydrochloride
CID 20982587

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide (CID 167804968) is N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide is O=C(NCc1cc2c([nH]c1=O)CCCC2)C1CCCN1c1ncnc2ccccc12.
What is the InChIKey of N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is MKDZMHFZGVFYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c29-22-16(12-15-6-1-3-8-18(15)27-22)13-24-23(30)20-10-5-11-28(20)21-17-7-2-4-9-19(17)25-14-26-21/h2,4,7,9,12,14,20H,1,3,5-6,8,10-11,13H2,(H,24,30)(H,27,29).
What are the key properties of N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide?
N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 167804968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).