5-amino-7-[2-(4-aminophenyl)ethylamino]-1-cyclopropyl-6,8-difluoroquinolin-4-one

C20H20F2N4O — CID 24753286

IUPAC5-amino-7-[2-(4-aminophenyl)ethylamino]-1-cyclopropyl-6,8-difluoroquinolin-4-one
SMILESNc1ccc(CCNc2c(F)c(N)c3c(=O)ccn(C4CC4)c3c2F)cc1
InChIInChI=1S/C20H20F2N4O/c21-16-18(24)15-14(27)8-10-26(13-5-6-13)20(15)17(22)19(16)25-9-7-11-1-3-12(23)4-2-11/h1-4,8,10,13,25H,5-7,9,23-24H2
InChIKeyDAHLUFYSBVSKLZ-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.43
Rot. Bonds5

About 5-amino-7-[2-(4-aminophenyl)ethylamino]-1-cyclopropyl-6,8-difluoroquinolin-4-one

5-amino-7-[2-(4-aminophenyl)ethylamino]-1-cyclopropyl-6,8-difluoroquinolin-4-one (PubChem CID 24753286) has the molecular formula C20H20F2N4O and a molecular weight of 370.40 g/mol. Its IUPAC name is 5-amino-7-[2-(4-aminophenyl)ethylamino]-1-cyclopropyl-6,8-difluoroquinolin-4-one.

Molecular Properties

Compound Name5-amino-7-[2-(4-aminophenyl)ethylamino]-1-cyclopropyl-6,8-difluoroquinolin-4-one
PubChem CID24753286
Molecular FormulaC20H20F2N4O
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC Name5-amino-7-[2-(4-aminophenyl)ethylamino]-1-cyclopropyl-6,8-difluoroquinolin-4-one
SMILESNc1ccc(CCNc2c(F)c(N)c3c(=O)ccn(C4CC4)c3c2F)cc1
InChIInChI=1S/C20H20F2N4O/c21-16-18(24)15-14(27)8-10-26(13-5-6-13)20(15)17(22)19(16)25-9-7-11-1-3-12(23)4-2-11/h1-4,8,10,13,25H,5-7,9,23-24H2
InChIKeyDAHLUFYSBVSKLZ-UHFFFAOYSA-N
XLogP3.43
TPSA86.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-7-[2-(4-aminophenyl)ethylamino]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 24753108
5-amino-1-cyclopropyl-6,8-difluoro-7-[2-(4-hydroxyphenyl)ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 24753374
5-amino-7-chloro-1-cyclopropyl-6,8-difluoroquinolin-4-one
CID 141081551
5-amino-1-cyclopropyl-6-ethyl-8-methoxy-7-(3-phenylpropylamino)quinolin-4-one
CID 163684076
5-amino-1-cyclopentyl-6-fluoro-8-methoxy-7-[2-(pyridin-2-ylamino)ethylamino]quinolin-4-one
CID 59002903
5-amino-6,8-difluoro-1-(2-phenylethyl)-7-(3-propan-2-yloxypropylamino)quinolin-4-one
CID 24753940
5-amino-6,8-difluoro-1-(2-phenylethyl)-7-(3-pyridin-2-ylpropylamino)quinolin-4-one
CID 159583302
3-acetyl-5-amino-6,8-difluoro-7-[2-(4-fluorophenyl)ethylamino]-1-propan-2-ylquinolin-4-one
CID 70670413
3-acetyl-5-amino-7-[2-(4-chlorophenyl)ethylamino]-6,8-difluoro-1-propan-2-ylquinolin-4-one
CID 70670420
N-(1-cyclopropyl-6,7-difluoro-8-methyl-4-oxoquinolin-5-yl)-2,2,2-trifluoroacetamide
CID 151749659
3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-phenylpropylamino)-1-propan-2-ylquinolin-4-one;5-amino-1-cyclopentyl-6,8-difluoro-7-(3-pyridin-2-ylpropylamino)quinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-7-(3-imidazol-1-ylpropylamino)-8-methoxy-3-methylquinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-8-methoxy-3-methyl-7-(3-phenylpropylamino)quinolin-4-one;5-amino-1-cyclopropyl-6-fluoro-7-(3-indol-1-ylpropylamino)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 159028882
8-amino-7-fluoro-2-methyl-10-oxo-6-(2-pyridin-4-ylethylamino)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
CID 24753034

Frequently Asked Questions

What is the IUPAC name of 5-amino-7-[2-(4-aminophenyl)ethylamino]-1-cyclopropyl-6,8-difluoroquinolin-4-one?
The IUPAC name of 5-amino-7-[2-(4-aminophenyl)ethylamino]-1-cyclopropyl-6,8-difluoroquinolin-4-one (CID 24753286) is 5-amino-7-[2-(4-aminophenyl)ethylamino]-1-cyclopropyl-6,8-difluoroquinolin-4-one.
What is the SMILES notation for 5-amino-7-[2-(4-aminophenyl)ethylamino]-1-cyclopropyl-6,8-difluoroquinolin-4-one?
The canonical SMILES for 5-amino-7-[2-(4-aminophenyl)ethylamino]-1-cyclopropyl-6,8-difluoroquinolin-4-one is Nc1ccc(CCNc2c(F)c(N)c3c(=O)ccn(C4CC4)c3c2F)cc1.
What is the InChIKey of 5-amino-7-[2-(4-aminophenyl)ethylamino]-1-cyclopropyl-6,8-difluoroquinolin-4-one?
The InChIKey is DAHLUFYSBVSKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O/c21-16-18(24)15-14(27)8-10-26(13-5-6-13)20(15)17(22)19(16)25-9-7-11-1-3-12(23)4-2-11/h1-4,8,10,13,25H,5-7,9,23-24H2.
What are the key properties of 5-amino-7-[2-(4-aminophenyl)ethylamino]-1-cyclopropyl-6,8-difluoroquinolin-4-one?
5-amino-7-[2-(4-aminophenyl)ethylamino]-1-cyclopropyl-6,8-difluoroquinolin-4-one has a molecular weight of 370.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-[2-(4-aminophenyl)ethylamino]-1-cyclopropyl-6,8-difluoroquinolin-4-one is sourced from PubChem (CID 24753286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).