3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-2-oxo-N-pyridin-2-yl-1,4-dihydroquinazoline-7-carboxamide

C27H22FN5O3 — CID 118192906

IUPAC3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-2-oxo-N-pyridin-2-yl-1,4-dihydroquinazoline-7-carboxamide
SMILESCc1ccc(OCc2ncccc2F)cc1N1Cc2ccc(C(=O)Nc3ccccn3)cc2NC1=O
InChIInChI=1S/C27H22FN5O3/c1-17-7-10-20(36-16-23-21(28)5-4-12-29-23)14-24(17)33-15-19-9-8-18(13-22(19)31-27(33)35)26(34)32-25-6-2-3-11-30-25/h2-14H,15-16H2,1H3,(H,31,35)(H,30,32,34)
InChIKeySLTMYEFLEJAYCK-UHFFFAOYSA-N
MW483.50 g/mol
LogP5.31
Rot. Bonds6

About 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-2-oxo-N-pyridin-2-yl-1,4-dihydroquinazoline-7-carboxamide

3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-2-oxo-N-pyridin-2-yl-1,4-dihydroquinazoline-7-carboxamide (PubChem CID 118192906) has the molecular formula C27H22FN5O3 and a molecular weight of 483.50 g/mol. Its IUPAC name is 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-2-oxo-N-pyridin-2-yl-1,4-dihydroquinazoline-7-carboxamide.

Molecular Properties

Compound Name3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-2-oxo-N-pyridin-2-yl-1,4-dihydroquinazoline-7-carboxamide
PubChem CID118192906
Molecular FormulaC27H22FN5O3
Molecular Weight483.50 g/mol
Exact Mass483.17
IUPAC Name3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-2-oxo-N-pyridin-2-yl-1,4-dihydroquinazoline-7-carboxamide
SMILESCc1ccc(OCc2ncccc2F)cc1N1Cc2ccc(C(=O)Nc3ccccn3)cc2NC1=O
InChIInChI=1S/C27H22FN5O3/c1-17-7-10-20(36-16-23-21(28)5-4-12-29-23)14-24(17)33-15-19-9-8-18(13-22(19)31-27(33)35)26(34)32-25-6-2-3-11-30-25/h2-14H,15-16H2,1H3,(H,31,35)(H,30,32,34)
InChIKeySLTMYEFLEJAYCK-UHFFFAOYSA-N
XLogP5.31
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.50
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-2-oxo-N-pyridin-2-yl-1,4-dihydroquinazoline-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-2-oxo-N-pyridin-2-yl-1,4-dihydroquinazoline-7-carboxamide?
The IUPAC name of 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-2-oxo-N-pyridin-2-yl-1,4-dihydroquinazoline-7-carboxamide (CID 118192906) is 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-2-oxo-N-pyridin-2-yl-1,4-dihydroquinazoline-7-carboxamide.
What is the SMILES notation for 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-2-oxo-N-pyridin-2-yl-1,4-dihydroquinazoline-7-carboxamide?
The canonical SMILES for 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-2-oxo-N-pyridin-2-yl-1,4-dihydroquinazoline-7-carboxamide is Cc1ccc(OCc2ncccc2F)cc1N1Cc2ccc(C(=O)Nc3ccccn3)cc2NC1=O.
What is the InChIKey of 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-2-oxo-N-pyridin-2-yl-1,4-dihydroquinazoline-7-carboxamide?
The InChIKey is SLTMYEFLEJAYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN5O3/c1-17-7-10-20(36-16-23-21(28)5-4-12-29-23)14-24(17)33-15-19-9-8-18(13-22(19)31-27(33)35)26(34)32-25-6-2-3-11-30-25/h2-14H,15-16H2,1H3,(H,31,35)(H,30,32,34).
What are the key properties of 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-2-oxo-N-pyridin-2-yl-1,4-dihydroquinazoline-7-carboxamide?
3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-2-oxo-N-pyridin-2-yl-1,4-dihydroquinazoline-7-carboxamide has a molecular weight of 483.50 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-2-oxo-N-pyridin-2-yl-1,4-dihydroquinazoline-7-carboxamide is sourced from PubChem (CID 118192906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).