7-chloro-4-[cyclopropyl(methyl)amino]-1-(3-fluorophenyl)quinazolin-2-one

C18H15ClFN3O — CID 150174446

IUPAC7-chloro-4-[cyclopropyl(methyl)amino]-1-(3-fluorophenyl)quinazolin-2-one
SMILESCN(c1nc(=O)n(-c2cccc(F)c2)c2cc(Cl)ccc12)C1CC1
InChIInChI=1S/C18H15ClFN3O/c1-22(13-6-7-13)17-15-8-5-11(19)9-16(15)23(18(24)21-17)14-4-2-3-12(20)10-14/h2-5,8-10,13H,6-7H2,1H3
InChIKeyFKCNNJYOVSNYFQ-UHFFFAOYSA-N
MW343.79 g/mol
LogP3.78
Rot. Bonds3

About 7-chloro-4-[cyclopropyl(methyl)amino]-1-(3-fluorophenyl)quinazolin-2-one

7-chloro-4-[cyclopropyl(methyl)amino]-1-(3-fluorophenyl)quinazolin-2-one (PubChem CID 150174446) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is 7-chloro-4-[cyclopropyl(methyl)amino]-1-(3-fluorophenyl)quinazolin-2-one.

Molecular Properties

Compound Name7-chloro-4-[cyclopropyl(methyl)amino]-1-(3-fluorophenyl)quinazolin-2-one
PubChem CID150174446
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC Name7-chloro-4-[cyclopropyl(methyl)amino]-1-(3-fluorophenyl)quinazolin-2-one
SMILESCN(c1nc(=O)n(-c2cccc(F)c2)c2cc(Cl)ccc12)C1CC1
InChIInChI=1S/C18H15ClFN3O/c1-22(13-6-7-13)17-15-8-5-11(19)9-16(15)23(18(24)21-17)14-4-2-3-12(20)10-14/h2-5,8-10,13H,6-7H2,1H3
InChIKeyFKCNNJYOVSNYFQ-UHFFFAOYSA-N
XLogP3.78
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 149637393
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CID 150172604
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CID 151690232
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CID 152022594
CID 152022594

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[cyclopropyl(methyl)amino]-1-(3-fluorophenyl)quinazolin-2-one?
The IUPAC name of 7-chloro-4-[cyclopropyl(methyl)amino]-1-(3-fluorophenyl)quinazolin-2-one (CID 150174446) is 7-chloro-4-[cyclopropyl(methyl)amino]-1-(3-fluorophenyl)quinazolin-2-one.
What is the SMILES notation for 7-chloro-4-[cyclopropyl(methyl)amino]-1-(3-fluorophenyl)quinazolin-2-one?
The canonical SMILES for 7-chloro-4-[cyclopropyl(methyl)amino]-1-(3-fluorophenyl)quinazolin-2-one is CN(c1nc(=O)n(-c2cccc(F)c2)c2cc(Cl)ccc12)C1CC1.
What is the InChIKey of 7-chloro-4-[cyclopropyl(methyl)amino]-1-(3-fluorophenyl)quinazolin-2-one?
The InChIKey is FKCNNJYOVSNYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O/c1-22(13-6-7-13)17-15-8-5-11(19)9-16(15)23(18(24)21-17)14-4-2-3-12(20)10-14/h2-5,8-10,13H,6-7H2,1H3.
What are the key properties of 7-chloro-4-[cyclopropyl(methyl)amino]-1-(3-fluorophenyl)quinazolin-2-one?
7-chloro-4-[cyclopropyl(methyl)amino]-1-(3-fluorophenyl)quinazolin-2-one has a molecular weight of 343.79 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[cyclopropyl(methyl)amino]-1-(3-fluorophenyl)quinazolin-2-one is sourced from PubChem (CID 150174446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).