N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-1-(cyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide

C22H27ClN4O3 — CID 135962386

IUPACN-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-1-(cyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide
SMILESCCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C22H27ClN4O3/c1-2-9-27(13-19-24-18-12-16(23)5-6-17(18)20(28)25-19)22(30)15-7-10-26(11-8-15)21(29)14-3-4-14/h5-6,12,14-15H,2-4,7-11,13H2,1H3,(H,24,25,28)
InChIKeyMLOOGOAOZIIBQP-UHFFFAOYSA-N
MW430.94 g/mol
LogP2.96
Rot. Bonds6

About N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-1-(cyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide

N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-1-(cyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide (PubChem CID 135962386) has the molecular formula C22H27ClN4O3 and a molecular weight of 430.94 g/mol. Its IUPAC name is N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-1-(cyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-1-(cyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide
PubChem CID135962386
Molecular FormulaC22H27ClN4O3
Molecular Weight430.94 g/mol
Exact Mass430.18
IUPAC NameN-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-1-(cyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide
SMILESCCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C22H27ClN4O3/c1-2-9-27(13-19-24-18-12-16(23)5-6-17(18)20(28)25-19)22(30)15-7-10-26(11-8-15)21(29)14-3-4-14/h5-6,12,14-15H,2-4,7-11,13H2,1H3,(H,24,25,28)
InChIKeyMLOOGOAOZIIBQP-UHFFFAOYSA-N
XLogP2.96
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-1-(cyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide with MolForge

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Related Compounds

(1S,2R,4S,5S)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propyltricyclo[3.2.1.02,4]octane-3-carboxamide
CID 137048436
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(methylamino)-N-propylacetamide;hydrochloride
CID 137131264
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(4-fluorophenyl)sulfanyl-N-propylacetamide
CID 135848582
(E)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-(5-methylthiophen-2-yl)-N-propylprop-2-enamide
CID 135579923
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3,5-dimethoxy-4-methyl-N-propylbenzamide
CID 135962428
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-methyl-N-propylfuran-2-carboxamide
CID 135904299
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-naphthalen-2-yl-N-propylacetamide
CID 135962407
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3,5-dimethyl-N-propyl-1,2-oxazole-4-carboxamide
CID 135583708
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-4-(4-ethylphenyl)-4-oxo-N-propylbutanamide
CID 135962404
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-5-methoxy-N-propylbenzamide
CID 135737967
3-chloro-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propyl-1-benzothiophene-2-carboxamide
CID 135888519
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-methylphenoxy)-N-propylacetamide
CID 135875163

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-1-(cyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide?
The IUPAC name of N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-1-(cyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide (CID 135962386) is N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-1-(cyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-1-(cyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide?
The canonical SMILES for N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-1-(cyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide is CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-1-(cyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide?
The InChIKey is MLOOGOAOZIIBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O3/c1-2-9-27(13-19-24-18-12-16(23)5-6-17(18)20(28)25-19)22(30)15-7-10-26(11-8-15)21(29)14-3-4-14/h5-6,12,14-15H,2-4,7-11,13H2,1H3,(H,24,25,28).
What are the key properties of N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-1-(cyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide?
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-1-(cyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide has a molecular weight of 430.94 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-1-(cyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 135962386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).