4-chloro-N-[1-[3-(6-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide

C24H23ClFN3O2 — CID 153288919

IUPAC4-chloro-N-[1-[3-(6-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
SMILESCCC(NC(=O)c1ccc(Cl)cc1)C1C2CC(Oc3ncnc4ccc(F)cc34)CC21
InChIInChI=1S/C24H23ClFN3O2/c1-2-20(29-23(30)13-3-5-14(25)6-4-13)22-17-10-16(11-18(17)22)31-24-19-9-15(26)7-8-21(19)27-12-28-24/h3-9,12,16-18,20,22H,2,10-11H2,1H3,(H,29,30)
InChIKeyINACMAMHTOLNBH-UHFFFAOYSA-N
MW439.92 g/mol
LogP5.03
Rot. Bonds6

About 4-chloro-N-[1-[3-(6-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide

4-chloro-N-[1-[3-(6-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide (PubChem CID 153288919) has the molecular formula C24H23ClFN3O2 and a molecular weight of 439.92 g/mol. Its IUPAC name is 4-chloro-N-[1-[3-(6-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[3-(6-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
PubChem CID153288919
Molecular FormulaC24H23ClFN3O2
Molecular Weight439.92 g/mol
Exact Mass439.15
IUPAC Name4-chloro-N-[1-[3-(6-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
SMILESCCC(NC(=O)c1ccc(Cl)cc1)C1C2CC(Oc3ncnc4ccc(F)cc34)CC21
InChIInChI=1S/C24H23ClFN3O2/c1-2-20(29-23(30)13-3-5-14(25)6-4-13)22-17-10-16(11-18(17)22)31-24-19-9-15(26)7-8-21(19)27-12-28-24/h3-9,12,16-18,20,22H,2,10-11H2,1H3,(H,29,30)
InChIKeyINACMAMHTOLNBH-UHFFFAOYSA-N
XLogP5.03
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.92
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[1-[3-(6-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide with MolForge

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Related Compounds

4-chloro-N-[1-[3-(7-chloroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
CID 162478506
5-(4-chlorophenyl)-3-[(1R,5S)-3-(6-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-5-oxopentanoic acid;ethyl 5-(4-chlorophenyl)-3-[(1R,5S)-3-(6-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-5-oxopentanoate
CID 159852707
4-cyano-N-[(1S)-1-[(1R,5S)-3-(6-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide
CID 153289131
4-chloro-N-[(1R)-1-[(1R,5S)-3-(6-fluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propyl]benzamide;4-chloro-N-[(1S)-1-[(1R,5S)-3-(6-fluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propyl]benzamide;4-chloro-N-[1-[(1R,5S)-3-(6-fluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propyl]benzamide;methyl thiohypofluorite
CID 160914231
4-chloro-N-[1-[(1R,5S)-3-(5-fluoro-2-nitroanilino)-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
CID 149471257
N-[1-[(1S,5R)-3-(7-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]ethyl]-6-methoxypyridine-3-carboxamide
CID 153289054
4-chloro-N-[1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propyl]benzamide
CID 162478471
N-[1-[3-(6-fluoro-4-oxoquinazolin-3-yl)-6-bicyclo[3.1.0]hexanyl]propyl]-6-methoxypyridine-3-carboxamide
CID 162478483
4-chloro-N-[1-[(1S,5R)-3-[(5-fluoro-3-nitro-2-pyridinyl)amino]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
CID 153288968
N-[6-[1-[(4-chlorobenzoyl)amino]propyl]-3-bicyclo[3.1.0]hexanyl]pyrimidine-4-carboxamide
CID 162478507
N-[1-[(1R,5S)-3-(2-amino-5-fluoroanilino)-6-bicyclo[3.1.0]hexanyl]propyl]-4-chlorobenzamide;4-chloro-N-[1-[(1R,5S)-3-(5-fluoro-2-nitroanilino)-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
CID 157314028
4-chloro-N-[1-[3-[(2-cyclopropyl-2-oxoethyl)amino]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
CID 153288851

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[3-(6-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide?
The IUPAC name of 4-chloro-N-[1-[3-(6-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide (CID 153288919) is 4-chloro-N-[1-[3-(6-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[3-(6-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[3-(6-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide is CCC(NC(=O)c1ccc(Cl)cc1)C1C2CC(Oc3ncnc4ccc(F)cc34)CC21.
What is the InChIKey of 4-chloro-N-[1-[3-(6-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide?
The InChIKey is INACMAMHTOLNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O2/c1-2-20(29-23(30)13-3-5-14(25)6-4-13)22-17-10-16(11-18(17)22)31-24-19-9-15(26)7-8-21(19)27-12-28-24/h3-9,12,16-18,20,22H,2,10-11H2,1H3,(H,29,30).
What are the key properties of 4-chloro-N-[1-[3-(6-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide?
4-chloro-N-[1-[3-(6-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide has a molecular weight of 439.92 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[3-(6-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide is sourced from PubChem (CID 153288919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).