4-chloro-N-[1-[3-(7-chloroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide

C24H23Cl2N3O2 — CID 162478506

IUPAC4-chloro-N-[1-[3-(7-chloroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
SMILESCCC(NC(=O)c1ccc(Cl)cc1)C1C2CC(Oc3ncnc4cc(Cl)ccc34)CC21
InChIInChI=1S/C24H23Cl2N3O2/c1-2-20(29-23(30)13-3-5-14(25)6-4-13)22-18-10-16(11-19(18)22)31-24-17-8-7-15(26)9-21(17)27-12-28-24/h3-9,12,16,18-20,22H,2,10-11H2,1H3,(H,29,30)
InChIKeyFGKFIDBLAPYWRS-UHFFFAOYSA-N
MW456.37 g/mol
LogP5.55
Rot. Bonds6

About 4-chloro-N-[1-[3-(7-chloroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide

4-chloro-N-[1-[3-(7-chloroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide (PubChem CID 162478506) has the molecular formula C24H23Cl2N3O2 and a molecular weight of 456.37 g/mol. Its IUPAC name is 4-chloro-N-[1-[3-(7-chloroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[3-(7-chloroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
PubChem CID162478506
Molecular FormulaC24H23Cl2N3O2
Molecular Weight456.37 g/mol
Exact Mass455.12
IUPAC Name4-chloro-N-[1-[3-(7-chloroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
SMILESCCC(NC(=O)c1ccc(Cl)cc1)C1C2CC(Oc3ncnc4cc(Cl)ccc34)CC21
InChIInChI=1S/C24H23Cl2N3O2/c1-2-20(29-23(30)13-3-5-14(25)6-4-13)22-18-10-16(11-19(18)22)31-24-17-8-7-15(26)9-21(17)27-12-28-24/h3-9,12,16,18-20,22H,2,10-11H2,1H3,(H,29,30)
InChIKeyFGKFIDBLAPYWRS-UHFFFAOYSA-N
XLogP5.55
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.37
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[1-[3-(7-chloroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide with MolForge

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Related Compounds

4-chloro-N-[1-[3-(6-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
CID 153288919
4-chloro-N-[1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propyl]benzamide
CID 162478471
N-[6-[1-[(4-chlorobenzoyl)amino]propyl]-3-bicyclo[3.1.0]hexanyl]pyrimidine-4-carboxamide
CID 162478507
4-chloro-N-[1-[3-[(2-cyclopropyl-2-oxoethyl)amino]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
CID 153288851
N-[1-[(1S,5R)-3-(7-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]ethyl]-6-methoxypyridine-3-carboxamide
CID 153289054
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
[6-[1-[(4-chlorobenzoyl)amino]propyl]-3-bicyclo[3.1.0]hexanyl] N-(4-nitrophenyl)carbamate
CID 153289096
4-chloro-N-[1-[(5S)-3-imidazo[4,5-c]pyridin-1-yl-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
CID 166839269
4-chloro-N-[1-[(5S)-3-(4-phenylimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
CID 166839276
methyl (2S)-2-[(1S,5R)-6-[(1S)-1-[(4-chlorobenzoyl)amino]propyl]-3-bicyclo[3.1.0]hexanyl]-2-phenylacetate
CID 153288998
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[3-(7-chloroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide?
The IUPAC name of 4-chloro-N-[1-[3-(7-chloroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide (CID 162478506) is 4-chloro-N-[1-[3-(7-chloroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[3-(7-chloroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[3-(7-chloroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide is CCC(NC(=O)c1ccc(Cl)cc1)C1C2CC(Oc3ncnc4cc(Cl)ccc34)CC21.
What is the InChIKey of 4-chloro-N-[1-[3-(7-chloroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide?
The InChIKey is FGKFIDBLAPYWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O2/c1-2-20(29-23(30)13-3-5-14(25)6-4-13)22-18-10-16(11-19(18)22)31-24-17-8-7-15(26)9-21(17)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-(7-chloroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide?
4-chloro-N-[1-[3-(7-chloroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide has a molecular weight of 456.37 g/mol, XLogP of 5.55, 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-(7-chloroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide is sourced from PubChem (CID 162478506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).