3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide

C27H25FN4O4 — CID 53052299

IUPAC3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(=O)n(-c4cccc(F)c4)c(N4CCOCC4)nc3c2)cc1
InChIInChI=1S/C27H25FN4O4/c1-35-22-8-5-18(6-9-22)17-29-25(33)19-7-10-23-24(15-19)30-27(31-11-13-36-14-12-31)32(26(23)34)21-4-2-3-20(28)16-21/h2-10,15-16H,11-14,17H2,1H3,(H,29,33)
InChIKeyKJZZBBAITRWJNT-UHFFFAOYSA-N
MW488.52 g/mol
LogP3.30
Rot. Bonds6

About 3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide

3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide (PubChem CID 53052299) has the molecular formula C27H25FN4O4 and a molecular weight of 488.52 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide
PubChem CID53052299
Molecular FormulaC27H25FN4O4
Molecular Weight488.52 g/mol
Exact Mass488.19
IUPAC Name3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(=O)n(-c4cccc(F)c4)c(N4CCOCC4)nc3c2)cc1
InChIInChI=1S/C27H25FN4O4/c1-35-22-8-5-18(6-9-22)17-29-25(33)19-7-10-23-24(15-19)30-27(31-11-13-36-14-12-31)32(26(23)34)21-4-2-3-20(28)16-21/h2-10,15-16H,11-14,17H2,1H3,(H,29,33)
InChIKeyKJZZBBAITRWJNT-UHFFFAOYSA-N
XLogP3.30
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-3-(3-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide
CID 53052297
3-(3-methoxyphenyl)-2-morpholin-4-yl-4-oxo-N-propylquinazoline-7-carboxamide
CID 46284880
N-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide
CID 53052276
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-[(2,4-difluorophenyl)methyl]-4-oxo-3-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052371
2-[(3-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one
CID 46362515
3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-[(3-methoxyphenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide
CID 46361900
3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide
CID 39334024
N-[(4-hydroxyphenyl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 72912171
methyl 3-[(4-methoxyphenyl)methyl]-4-oxo-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate
CID 50840696
(2S)-2-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 27970700

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide (CID 53052299) is 3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide is COc1ccc(CNC(=O)c2ccc3c(=O)n(-c4cccc(F)c4)c(N4CCOCC4)nc3c2)cc1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide?
The InChIKey is KJZZBBAITRWJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O4/c1-35-22-8-5-18(6-9-22)17-29-25(33)19-7-10-23-24(15-19)30-27(31-11-13-36-14-12-31)32(26(23)34)21-4-2-3-20(28)16-21/h2-10,15-16H,11-14,17H2,1H3,(H,29,33).
What are the key properties of 3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide?
3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide has a molecular weight of 488.52 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide is sourced from PubChem (CID 53052299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).