N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-(3-methoxyphenyl)-N-propylpropanamide

C22H24ClN3O3 — CID 137285448

IUPACN-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-(3-methoxyphenyl)-N-propylpropanamide
SMILESCCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCc1cccc(OC)c1
InChIInChI=1S/C22H24ClN3O3/c1-3-11-26(21(27)10-7-15-5-4-6-17(12-15)29-2)14-20-24-19-13-16(23)8-9-18(19)22(28)25-20/h4-6,8-9,12-13H,3,7,10-11,14H2,1-2H3,(H,24,25,28)
InChIKeyIBTYZTWRKXCQLH-UHFFFAOYSA-N
MW413.91 g/mol
LogP3.96
Rot. Bonds8

About N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-(3-methoxyphenyl)-N-propylpropanamide

N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-(3-methoxyphenyl)-N-propylpropanamide (PubChem CID 137285448) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-(3-methoxyphenyl)-N-propylpropanamide.

Molecular Properties

Compound NameN-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-(3-methoxyphenyl)-N-propylpropanamide
PubChem CID137285448
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC NameN-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-(3-methoxyphenyl)-N-propylpropanamide
SMILESCCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCc1cccc(OC)c1
InChIInChI=1S/C22H24ClN3O3/c1-3-11-26(21(27)10-7-15-5-4-6-17(12-15)29-2)14-20-24-19-13-16(23)8-9-18(19)22(28)25-20/h4-6,8-9,12-13H,3,7,10-11,14H2,1-2H3,(H,24,25,28)
InChIKeyIBTYZTWRKXCQLH-UHFFFAOYSA-N
XLogP3.96
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-(3-methoxyphenyl)-N-propylpropanamide with MolForge

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Related Compounds

3-(3-bromo-4-methoxyphenyl)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propylpropanamide
CID 135993529
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-(methylamino)-N-propylacetamide;hydrochloride
CID 137131264
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]-4-(4-ethylphenyl)-4-oxo-N-propylbutanamide
CID 135962404
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-(4-fluorophenyl)propanamide
CID 135888041
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-methylphenoxy)-N-propylacetamide
CID 135875163
N-[4-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-propylamino]-4-oxobutyl]benzamide
CID 137294577
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3,5-dimethoxy-4-methyl-N-propylbenzamide
CID 135962428
3-(3-methoxyphenyl)-N,N-dipropylpropanamide
CID 86913065
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-(3-chlorophenoxy)-N-ethylacetamide
CID 135875144

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-(3-methoxyphenyl)-N-propylpropanamide?
The IUPAC name of N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-(3-methoxyphenyl)-N-propylpropanamide (CID 137285448) is N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-(3-methoxyphenyl)-N-propylpropanamide.
What is the SMILES notation for N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-(3-methoxyphenyl)-N-propylpropanamide?
The canonical SMILES for N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-(3-methoxyphenyl)-N-propylpropanamide is CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCc1cccc(OC)c1.
What is the InChIKey of N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-(3-methoxyphenyl)-N-propylpropanamide?
The InChIKey is IBTYZTWRKXCQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c1-3-11-26(21(27)10-7-15-5-4-6-17(12-15)29-2)14-20-24-19-13-16(23)8-9-18(19)22(28)25-20/h4-6,8-9,12-13H,3,7,10-11,14H2,1-2H3,(H,24,25,28).
What are the key properties of N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-(3-methoxyphenyl)-N-propylpropanamide?
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-(3-methoxyphenyl)-N-propylpropanamide has a molecular weight of 413.91 g/mol, XLogP of 3.96, 8 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]-3-(3-methoxyphenyl)-N-propylpropanamide is sourced from PubChem (CID 137285448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).