2-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide

C24H22N4O2 — CID 137317997

IUPAC2-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C24H22N4O2/c1-2-28(14-22-26-20-10-6-4-8-17(20)23(29)27-22)24(30)18-13-21(15-11-12-15)25-19-9-5-3-7-16(18)19/h3-10,13,15H,2,11-12,14H2,1H3,(H,26,27,29)
InChIKeyQFODVXRBQSTWRB-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.01
Rot. Bonds5

About 2-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide

2-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide (PubChem CID 137317997) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide
PubChem CID137317997
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name2-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C24H22N4O2/c1-2-28(14-22-26-20-10-6-4-8-17(20)23(29)27-22)24(30)18-13-21(15-11-12-15)25-19-9-5-3-7-16(18)19/h3-10,13,15H,2,11-12,14H2,1H3,(H,26,27,29)
InChIKeyQFODVXRBQSTWRB-UHFFFAOYSA-N
XLogP4.01
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 135900604
2-cyclopropyl-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
CID 28786526
N-[(2R)-2-cyanopropyl]-2-cyclopropyl-N-ethylquinoline-4-carboxamide
CID 95285747
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 135702756
2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride
CID 146086015
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1H-indole-2-carboxamide
CID 135821179
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 135821016
trans-(1S,2S)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 137137328
(2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide
CID 137036977
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea
CID 135680669
N-ethyl-4-(2-oxopyrrolidin-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135821098
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-2-carboxamide
CID 137118075

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide (CID 137317997) is 2-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of 2-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide?
The InChIKey is QFODVXRBQSTWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-2-28(14-22-26-20-10-6-4-8-17(20)23(29)27-22)24(30)18-13-21(15-11-12-15)25-19-9-5-3-7-16(18)19/h3-10,13,15H,2,11-12,14H2,1H3,(H,26,27,29).
What are the key properties of 2-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide?
2-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 137317997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).