4-amino-1-(1-chloroisoquinolin-5-yl)-7-(difluoromethoxy)quinolin-2-one

C19H12ClF2N3O2 — CID 175932144

IUPAC4-amino-1-(1-chloroisoquinolin-5-yl)-7-(difluoromethoxy)quinolin-2-one
SMILESNc1cc(=O)n(-c2cccc3c(Cl)nccc23)c2cc(OC(F)F)ccc12
InChIInChI=1S/C19H12ClF2N3O2/c20-18-12-2-1-3-15(11(12)6-7-24-18)25-16-8-10(27-19(21)22)4-5-13(16)14(23)9-17(25)26/h1-9,19H,23H2
InChIKeyMPAJWGBJQZKMQV-UHFFFAOYSA-N
MW387.77 g/mol
LogP4.38
Rot. Bonds3

About 4-amino-1-(1-chloroisoquinolin-5-yl)-7-(difluoromethoxy)quinolin-2-one

4-amino-1-(1-chloroisoquinolin-5-yl)-7-(difluoromethoxy)quinolin-2-one (PubChem CID 175932144) has the molecular formula C19H12ClF2N3O2 and a molecular weight of 387.77 g/mol. Its IUPAC name is 4-amino-1-(1-chloroisoquinolin-5-yl)-7-(difluoromethoxy)quinolin-2-one.

Molecular Properties

Compound Name4-amino-1-(1-chloroisoquinolin-5-yl)-7-(difluoromethoxy)quinolin-2-one
PubChem CID175932144
Molecular FormulaC19H12ClF2N3O2
Molecular Weight387.77 g/mol
Exact Mass387.06
IUPAC Name4-amino-1-(1-chloroisoquinolin-5-yl)-7-(difluoromethoxy)quinolin-2-one
SMILESNc1cc(=O)n(-c2cccc3c(Cl)nccc23)c2cc(OC(F)F)ccc12
InChIInChI=1S/C19H12ClF2N3O2/c20-18-12-2-1-3-15(11(12)6-7-24-18)25-16-8-10(27-19(21)22)4-5-13(16)14(23)9-17(25)26/h1-9,19H,23H2
InChIKeyMPAJWGBJQZKMQV-UHFFFAOYSA-N
XLogP4.38
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.77
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-amino-7-(difluoromethoxy)-1-(3-fluoro-2-methylphenyl)quinazolin-2-one
CID 167528321
6-(difluoromethoxy)-1-methylindazol-3-amine
CID 57476554
6-(difluoromethoxy)-1-ethylindol-3-amine
CID 70844592
1-chloro-4-(difluoromethoxy)isoquinoline
CID 150576638
5-(difluoromethoxy)-3-iodo-1-methylindazole
CID 71279544
1-chloroisoquinoline-5-carboxylic acid
CID 21192483
[2-amino-5-(difluoromethoxy)phenyl]-pyridin-4-ylmethanone
CID 134627389
2-chloro-5-(difluoromethoxy)pyridine-3-carbaldehyde
CID 119008832
[4-(difluoromethoxy)-2-pyridinyl]methanamine
CID 130046959
2,4-bis(difluoromethoxy)benzaldehyde
CID 4218025
4-bromo-6-(difluoromethoxy)quinoline
CID 114763893
4-(difluoromethoxy)-2-dimethylphosphanyloxyaniline;phosphane
CID 170077900

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1-chloroisoquinolin-5-yl)-7-(difluoromethoxy)quinolin-2-one?
The IUPAC name of 4-amino-1-(1-chloroisoquinolin-5-yl)-7-(difluoromethoxy)quinolin-2-one (CID 175932144) is 4-amino-1-(1-chloroisoquinolin-5-yl)-7-(difluoromethoxy)quinolin-2-one.
What is the SMILES notation for 4-amino-1-(1-chloroisoquinolin-5-yl)-7-(difluoromethoxy)quinolin-2-one?
The canonical SMILES for 4-amino-1-(1-chloroisoquinolin-5-yl)-7-(difluoromethoxy)quinolin-2-one is Nc1cc(=O)n(-c2cccc3c(Cl)nccc23)c2cc(OC(F)F)ccc12.
What is the InChIKey of 4-amino-1-(1-chloroisoquinolin-5-yl)-7-(difluoromethoxy)quinolin-2-one?
The InChIKey is MPAJWGBJQZKMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF2N3O2/c20-18-12-2-1-3-15(11(12)6-7-24-18)25-16-8-10(27-19(21)22)4-5-13(16)14(23)9-17(25)26/h1-9,19H,23H2.
What are the key properties of 4-amino-1-(1-chloroisoquinolin-5-yl)-7-(difluoromethoxy)quinolin-2-one?
4-amino-1-(1-chloroisoquinolin-5-yl)-7-(difluoromethoxy)quinolin-2-one has a molecular weight of 387.77 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1-chloroisoquinolin-5-yl)-7-(difluoromethoxy)quinolin-2-one is sourced from PubChem (CID 175932144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).