N-[1-[(1S,5R)-3-(7-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]ethyl]-6-methoxypyridine-3-carboxamide

C23H23FN4O3 — CID 153289054

About N-[1-[(1S,5R)-3-(7-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]ethyl]-6-methoxypyridine-3-carboxamide

N-[1-[(1S,5R)-3-(7-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]ethyl]-6-methoxypyridine-3-carboxamide (PubChem CID 153289054) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is N-[1-[(1S,5R)-3-(7-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]ethyl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(1S,5R)-3-(7-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]ethyl]-6-methoxypyridine-3-carboxamide
• PubChem CID: 153289054
• Molecular Formula: C23H23FN4O3
• Molecular Weight: 422.46 g/mol
• Exact Mass: 422.18
• IUPAC Name: N-[1-[(1S,5R)-3-(7-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]ethyl]-6-methoxypyridine-3-carboxamide
• SMILES: COc1ccc(C(=O)NC(C)C2[C@H]3CC(Oc4ncnc5cc(F)ccc45)C[C@@H]23)cn1
• InChI: InChI=1S/C23H23FN4O3/c1-12(28-22(29)13-3-6-20(30-2)25-10-13)21-17-8-15(9-18(17)21)31-23-16-5-4-14(24)7-19(16)26-11-27-23/h3-7,10-12,15,17-18,21H,8-9H2,1-2H3,(H,28,29)/t12?,15?,17-,18+,21?
• InChIKey: JMRHSPKJAHQJQY-UNYDSEHPSA-N
• XLogP: 3.39
• TPSA: 86.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.46
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1S,5R)-3-(7-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]ethyl]-6-methoxypyridine-3-carboxamide?

The IUPAC name of N-[1-[(1S,5R)-3-(7-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]ethyl]-6-methoxypyridine-3-carboxamide (CID 153289054) is N-[1-[(1S,5R)-3-(7-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]ethyl]-6-methoxypyridine-3-carboxamide.

What is the SMILES notation for N-[1-[(1S,5R)-3-(7-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]ethyl]-6-methoxypyridine-3-carboxamide?

The canonical SMILES for N-[1-[(1S,5R)-3-(7-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]ethyl]-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)NC(C)C2[C@H]3CC(Oc4ncnc5cc(F)ccc45)C[C@@H]23)cn1.

What is the InChIKey of N-[1-[(1S,5R)-3-(7-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]ethyl]-6-methoxypyridine-3-carboxamide?

The InChIKey is JMRHSPKJAHQJQY-UNYDSEHPSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-12(28-22(29)13-3-6-20(30-2)25-10-13)21-17-8-15(9-18(17)21)31-23-16-5-4-14(24)7-19(16)26-11-27-23/h3-7,10-12,15,17-18,21H,8-9H2,1-2H3,(H,28,29)/t12?,15?,17-,18+,21?.

What are the key properties of N-[1-[(1S,5R)-3-(7-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]ethyl]-6-methoxypyridine-3-carboxamide?

N-[1-[(1S,5R)-3-(7-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]ethyl]-6-methoxypyridine-3-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(1S,5R)-3-(7-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]ethyl]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 153289054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).