5-amino-1-cyclopropyl-6-ethyl-8-methoxy-7-(3-phenylpropylamino)quinolin-4-one

C24H29N3O2 — CID 163684076

IUPAC5-amino-1-cyclopropyl-6-ethyl-8-methoxy-7-(3-phenylpropylamino)quinolin-4-one
SMILESCCc1c(NCCCc2ccccc2)c(OC)c2c(c1N)c(=O)ccn2C1CC1
InChIInChI=1S/C24H29N3O2/c1-3-18-21(25)20-19(28)13-15-27(17-11-12-17)23(20)24(29-2)22(18)26-14-7-10-16-8-5-4-6-9-16/h4-6,8-9,13,15,17,26H,3,7,10-12,14,25H2,1-2H3
InChIKeyJNHSYVDROABJHO-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.53
Rot. Bonds8

About 5-amino-1-cyclopropyl-6-ethyl-8-methoxy-7-(3-phenylpropylamino)quinolin-4-one

5-amino-1-cyclopropyl-6-ethyl-8-methoxy-7-(3-phenylpropylamino)quinolin-4-one (PubChem CID 163684076) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 5-amino-1-cyclopropyl-6-ethyl-8-methoxy-7-(3-phenylpropylamino)quinolin-4-one.

Molecular Properties

Compound Name5-amino-1-cyclopropyl-6-ethyl-8-methoxy-7-(3-phenylpropylamino)quinolin-4-one
PubChem CID163684076
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name5-amino-1-cyclopropyl-6-ethyl-8-methoxy-7-(3-phenylpropylamino)quinolin-4-one
SMILESCCc1c(NCCCc2ccccc2)c(OC)c2c(c1N)c(=O)ccn2C1CC1
InChIInChI=1S/C24H29N3O2/c1-3-18-21(25)20-19(28)13-15-27(17-11-12-17)23(20)24(29-2)22(18)26-14-7-10-16-8-5-4-6-9-16/h4-6,8-9,13,15,17,26H,3,7,10-12,14,25H2,1-2H3
InChIKeyJNHSYVDROABJHO-UHFFFAOYSA-N
XLogP4.53
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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
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
8-amino-7-fluoro-2-methyl-10-oxo-6-(3-phenylpropylamino)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
CID 59002918
2-ethyl-6-methyl-N-(3-phenylpropyl)aniline
CID 39356754
5-amino-7-chloro-1-cyclopropyl-6,8-difluoroquinolin-4-one
CID 141081551
5-ethyl-6-(4-phenylbutylamino)-1H-pyrimidine-2,4-dione
CID 10565219
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
2-oxo-4-(3-phenylpropylamino)-1H-quinoline-3-carboxylic acid
CID 53349705
3-amino-2-(3-phenylpropylamino)benzoic acid
CID 115934219
4-amino-5-ethyl-1-methyl-2-(3-phenylpropyl)pyrazol-3-one
CID 63265883

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclopropyl-6-ethyl-8-methoxy-7-(3-phenylpropylamino)quinolin-4-one?
The IUPAC name of 5-amino-1-cyclopropyl-6-ethyl-8-methoxy-7-(3-phenylpropylamino)quinolin-4-one (CID 163684076) is 5-amino-1-cyclopropyl-6-ethyl-8-methoxy-7-(3-phenylpropylamino)quinolin-4-one.
What is the SMILES notation for 5-amino-1-cyclopropyl-6-ethyl-8-methoxy-7-(3-phenylpropylamino)quinolin-4-one?
The canonical SMILES for 5-amino-1-cyclopropyl-6-ethyl-8-methoxy-7-(3-phenylpropylamino)quinolin-4-one is CCc1c(NCCCc2ccccc2)c(OC)c2c(c1N)c(=O)ccn2C1CC1.
What is the InChIKey of 5-amino-1-cyclopropyl-6-ethyl-8-methoxy-7-(3-phenylpropylamino)quinolin-4-one?
The InChIKey is JNHSYVDROABJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-3-18-21(25)20-19(28)13-15-27(17-11-12-17)23(20)24(29-2)22(18)26-14-7-10-16-8-5-4-6-9-16/h4-6,8-9,13,15,17,26H,3,7,10-12,14,25H2,1-2H3.
What are the key properties of 5-amino-1-cyclopropyl-6-ethyl-8-methoxy-7-(3-phenylpropylamino)quinolin-4-one?
5-amino-1-cyclopropyl-6-ethyl-8-methoxy-7-(3-phenylpropylamino)quinolin-4-one has a molecular weight of 391.52 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclopropyl-6-ethyl-8-methoxy-7-(3-phenylpropylamino)quinolin-4-one is sourced from PubChem (CID 163684076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).