3-(3-methoxyphenyl)-2-morpholin-4-yl-4-oxo-N-propylquinazoline-7-carboxamide

C23H26N4O4 — CID 46284880

IUPAC3-(3-methoxyphenyl)-2-morpholin-4-yl-4-oxo-N-propylquinazoline-7-carboxamide
SMILESCCCNC(=O)c1ccc2c(=O)n(-c3cccc(OC)c3)c(N3CCOCC3)nc2c1
InChIInChI=1S/C23H26N4O4/c1-3-9-24-21(28)16-7-8-19-20(14-16)25-23(26-10-12-31-13-11-26)27(22(19)29)17-5-4-6-18(15-17)30-2/h4-8,14-15H,3,9-13H2,1-2H3,(H,24,28)
InChIKeyBMVSYKJKJRBWLK-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.37
Rot. Bonds6

About 3-(3-methoxyphenyl)-2-morpholin-4-yl-4-oxo-N-propylquinazoline-7-carboxamide

3-(3-methoxyphenyl)-2-morpholin-4-yl-4-oxo-N-propylquinazoline-7-carboxamide (PubChem CID 46284880) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2-morpholin-4-yl-4-oxo-N-propylquinazoline-7-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2-morpholin-4-yl-4-oxo-N-propylquinazoline-7-carboxamide
PubChem CID46284880
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name3-(3-methoxyphenyl)-2-morpholin-4-yl-4-oxo-N-propylquinazoline-7-carboxamide
SMILESCCCNC(=O)c1ccc2c(=O)n(-c3cccc(OC)c3)c(N3CCOCC3)nc2c1
InChIInChI=1S/C23H26N4O4/c1-3-9-24-21(28)16-7-8-19-20(14-16)25-23(26-10-12-31-13-11-26)27(22(19)29)17-5-4-6-18(15-17)30-2/h4-8,14-15H,3,9-13H2,1-2H3,(H,24,28)
InChIKeyBMVSYKJKJRBWLK-UHFFFAOYSA-N
XLogP2.37
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide
CID 53052299
methyl 3-(3,5-dimethoxyphenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate
CID 53200436
methyl 2-morpholin-4-yl-4-oxo-3-phenylquinazoline-7-carboxylate
CID 22425302
N-benzyl-3-(3-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide
CID 53052297
2-benzylsulfanyl-3-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one
CID 46362524
N-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide
CID 53052276
2-[(2-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one
CID 46362514
3-benzyl-4-oxo-N-propyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052428
methyl 3-(3-chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate
CID 53200408
3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-[(3-methoxyphenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide
CID 46361900
2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 46362112
2-[(3-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one
CID 46362515

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2-morpholin-4-yl-4-oxo-N-propylquinazoline-7-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-2-morpholin-4-yl-4-oxo-N-propylquinazoline-7-carboxamide (CID 46284880) is 3-(3-methoxyphenyl)-2-morpholin-4-yl-4-oxo-N-propylquinazoline-7-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-2-morpholin-4-yl-4-oxo-N-propylquinazoline-7-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-2-morpholin-4-yl-4-oxo-N-propylquinazoline-7-carboxamide is CCCNC(=O)c1ccc2c(=O)n(-c3cccc(OC)c3)c(N3CCOCC3)nc2c1.
What is the InChIKey of 3-(3-methoxyphenyl)-2-morpholin-4-yl-4-oxo-N-propylquinazoline-7-carboxamide?
The InChIKey is BMVSYKJKJRBWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-3-9-24-21(28)16-7-8-19-20(14-16)25-23(26-10-12-31-13-11-26)27(22(19)29)17-5-4-6-18(15-17)30-2/h4-8,14-15H,3,9-13H2,1-2H3,(H,24,28).
What are the key properties of 3-(3-methoxyphenyl)-2-morpholin-4-yl-4-oxo-N-propylquinazoline-7-carboxamide?
3-(3-methoxyphenyl)-2-morpholin-4-yl-4-oxo-N-propylquinazoline-7-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2-morpholin-4-yl-4-oxo-N-propylquinazoline-7-carboxamide is sourced from PubChem (CID 46284880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).