N-[1-[3-(6-fluoro-4-oxoquinazolin-3-yl)-6-bicyclo[3.1.0]hexanyl]propyl]-6-methoxypyridine-3-carboxamide

C24H25FN4O3 — CID 162478483

About N-[1-[3-(6-fluoro-4-oxoquinazolin-3-yl)-6-bicyclo[3.1.0]hexanyl]propyl]-6-methoxypyridine-3-carboxamide

N-[1-[3-(6-fluoro-4-oxoquinazolin-3-yl)-6-bicyclo[3.1.0]hexanyl]propyl]-6-methoxypyridine-3-carboxamide (PubChem CID 162478483) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[1-[3-(6-fluoro-4-oxoquinazolin-3-yl)-6-bicyclo[3.1.0]hexanyl]propyl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[3-(6-fluoro-4-oxoquinazolin-3-yl)-6-bicyclo[3.1.0]hexanyl]propyl]-6-methoxypyridine-3-carboxamide
• PubChem CID: 162478483
• Molecular Formula: C24H25FN4O3
• Molecular Weight: 436.49 g/mol
• Exact Mass: 436.19
• IUPAC Name: N-[1-[3-(6-fluoro-4-oxoquinazolin-3-yl)-6-bicyclo[3.1.0]hexanyl]propyl]-6-methoxypyridine-3-carboxamide
• SMILES: CCC(NC(=O)c1ccc(OC)nc1)C1C2CC(n3cnc4ccc(F)cc4c3=O)CC21
• InChI: InChI=1S/C24H25FN4O3/c1-3-19(28-23(30)13-4-7-21(32-2)26-11-13)22-16-9-15(10-17(16)22)29-12-27-20-6-5-14(25)8-18(20)24(29)31/h4-8,11-12,15-17,19,22H,3,9-10H2,1-2H3,(H,28,30)
• InChIKey: LHSYZTFBLJWKRD-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 86.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.49
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(6-fluoro-4-oxoquinazolin-3-yl)-6-bicyclo[3.1.0]hexanyl]propyl]-6-methoxypyridine-3-carboxamide?

The IUPAC name of N-[1-[3-(6-fluoro-4-oxoquinazolin-3-yl)-6-bicyclo[3.1.0]hexanyl]propyl]-6-methoxypyridine-3-carboxamide (CID 162478483) is N-[1-[3-(6-fluoro-4-oxoquinazolin-3-yl)-6-bicyclo[3.1.0]hexanyl]propyl]-6-methoxypyridine-3-carboxamide.

What is the SMILES notation for N-[1-[3-(6-fluoro-4-oxoquinazolin-3-yl)-6-bicyclo[3.1.0]hexanyl]propyl]-6-methoxypyridine-3-carboxamide?

The canonical SMILES for N-[1-[3-(6-fluoro-4-oxoquinazolin-3-yl)-6-bicyclo[3.1.0]hexanyl]propyl]-6-methoxypyridine-3-carboxamide is CCC(NC(=O)c1ccc(OC)nc1)C1C2CC(n3cnc4ccc(F)cc4c3=O)CC21.

What is the InChIKey of N-[1-[3-(6-fluoro-4-oxoquinazolin-3-yl)-6-bicyclo[3.1.0]hexanyl]propyl]-6-methoxypyridine-3-carboxamide?

The InChIKey is LHSYZTFBLJWKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-3-19(28-23(30)13-4-7-21(32-2)26-11-13)22-16-9-15(10-17(16)22)29-12-27-20-6-5-14(25)8-18(20)24(29)31/h4-8,11-12,15-17,19,22H,3,9-10H2,1-2H3,(H,28,30).

What are the key properties of N-[1-[3-(6-fluoro-4-oxoquinazolin-3-yl)-6-bicyclo[3.1.0]hexanyl]propyl]-6-methoxypyridine-3-carboxamide?

N-[1-[3-(6-fluoro-4-oxoquinazolin-3-yl)-6-bicyclo[3.1.0]hexanyl]propyl]-6-methoxypyridine-3-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-(6-fluoro-4-oxoquinazolin-3-yl)-6-bicyclo[3.1.0]hexanyl]propyl]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 162478483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).