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

C24H25FN4O3 — CID 162478483

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[1-[3-(6-fluoro-4-oxoquinazolin-3-yl)-6-bicyclo[3.1.0]hexanyl]propyl]-6-methoxypyridine-3-carboxamide
SMILESCCC(NC(=O)c1ccc(OC)nc1)C1C2CC(n3cnc4ccc(F)cc4c3=O)CC21
InChIInChI=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)
InChIKeyLHSYZTFBLJWKRD-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.34
Rot. Bonds6

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 NameN-[1-[3-(6-fluoro-4-oxoquinazolin-3-yl)-6-bicyclo[3.1.0]hexanyl]propyl]-6-methoxypyridine-3-carboxamide
PubChem CID162478483
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC NameN-[1-[3-(6-fluoro-4-oxoquinazolin-3-yl)-6-bicyclo[3.1.0]hexanyl]propyl]-6-methoxypyridine-3-carboxamide
SMILESCCC(NC(=O)c1ccc(OC)nc1)C1C2CC(n3cnc4ccc(F)cc4c3=O)CC21
InChIInChI=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)
InChIKeyLHSYZTFBLJWKRD-UHFFFAOYSA-N
XLogP3.34
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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).

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