N-[4-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-propylamino]-4-oxobutyl]benzamide

C23H25ClN4O3 — CID 137294577

IUPACN-[4-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-propylamino]-4-oxobutyl]benzamide
SMILESCCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C23H25ClN4O3/c1-2-13-28(15-20-26-19-14-17(24)10-11-18(19)23(31)27-20)21(29)9-6-12-25-22(30)16-7-4-3-5-8-16/h3-5,7-8,10-11,14H,2,6,9,12-13,15H2,1H3,(H,25,30)(H,26,27,31)
InChIKeyYZODKKYJZFRRCB-UHFFFAOYSA-N
MW440.93 g/mol
LogP3.53
Rot. Bonds9

About N-[4-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-propylamino]-4-oxobutyl]benzamide

N-[4-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-propylamino]-4-oxobutyl]benzamide (PubChem CID 137294577) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is N-[4-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-propylamino]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-propylamino]-4-oxobutyl]benzamide
PubChem CID137294577
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC NameN-[4-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-propylamino]-4-oxobutyl]benzamide
SMILESCCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C23H25ClN4O3/c1-2-13-28(15-20-26-19-14-17(24)10-11-18(19)23(31)27-20)21(29)9-6-12-25-22(30)16-7-4-3-5-8-16/h3-5,7-8,10-11,14H,2,6,9,12-13,15H2,1H3,(H,25,30)(H,26,27,31)
InChIKeyYZODKKYJZFRRCB-UHFFFAOYSA-N
XLogP3.53
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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]-4-(4-ethylphenyl)-4-oxo-N-propylbutanamide
CID 135962404
4-(3-bromophenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propylbutanamide
CID 136959720
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-(2-fluorophenyl)furan-2-yl]-N-propylpropanamide
CID 137286519
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-methylphenoxy)-N-propylacetamide
CID 135875163
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-(3-methoxyphenyl)-N-propylpropanamide
CID 137285448
2-benzoyl-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylbenzamide
CID 135854786
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3,5-dimethoxy-4-methyl-N-propylbenzamide
CID 135962428
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-(4-fluorophenyl)sulfanyl-N-propylacetamide
CID 135848582
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propylacetamide
CID 135962394

Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-propylamino]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-propylamino]-4-oxobutyl]benzamide (CID 137294577) is N-[4-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-propylamino]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-propylamino]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-propylamino]-4-oxobutyl]benzamide is CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCCNC(=O)c1ccccc1.
What is the InChIKey of N-[4-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-propylamino]-4-oxobutyl]benzamide?
The InChIKey is YZODKKYJZFRRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-2-13-28(15-20-26-19-14-17(24)10-11-18(19)23(31)27-20)21(29)9-6-12-25-22(30)16-7-4-3-5-8-16/h3-5,7-8,10-11,14H,2,6,9,12-13,15H2,1H3,(H,25,30)(H,26,27,31).
What are the key properties of N-[4-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-propylamino]-4-oxobutyl]benzamide?
N-[4-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-propylamino]-4-oxobutyl]benzamide has a molecular weight of 440.93 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-propylamino]-4-oxobutyl]benzamide is sourced from PubChem (CID 137294577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).