1-[4-(6H-pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]ethanone

C19H15N3O — CID 135550759

IUPAC1-[4-(6H-pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2cc[nH]c3ccc4nccc4c23)cc1
InChIInChI=1S/C19H15N3O/c1-12(23)13-2-4-14(5-3-13)22-18-9-11-21-17-7-6-16-15(19(17)18)8-10-20-16/h2-11,21-22H,1H3
InChIKeyDABGLVOMELIULQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.66
Rot. Bonds3

About 1-[4-(6H-pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]ethanone

1-[4-(6H-pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]ethanone (PubChem CID 135550759) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[4-(6H-pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(6H-pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]ethanone
PubChem CID135550759
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name1-[4-(6H-pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2cc[nH]c3ccc4nccc4c23)cc1
InChIInChI=1S/C19H15N3O/c1-12(23)13-2-4-14(5-3-13)22-18-9-11-21-17-7-6-16-15(19(17)18)8-10-20-16/h2-11,21-22H,1H3
InChIKeyDABGLVOMELIULQ-UHFFFAOYSA-N
XLogP4.66
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone;hydrochloride
CID 90485767
acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine
CID 144507995
1-[4-(quinolin-6-ylamino)phenyl]ethanone
CID 82536653
1-[4-[(6-bromoquinazolin-4-yl)amino]phenyl]ethanone
CID 702723
4-[(7-acetamido-9H-pyrido[2,3-b]indol-4-yl)amino]benzoic acid
CID 169079762
1-[4-(4-bromoanilino)phenyl]ethanone
CID 11543832
methyl 4-[(7-bromoquinolin-4-yl)amino]benzoate
CID 50877245
1-[4-[[4-(4-bromoanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112904443
1-[4-[[6-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866665
1-[4-(pyrimidin-4-ylamino)phenyl]ethanone
CID 115028223
methyl 4-[(6-isocyanoquinolin-4-yl)amino]benzoate
CID 176585499
6-[(6-acetylquinolin-4-yl)amino]pyridine-3-carboxylic acid
CID 157043966

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6H-pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]ethanone?
The IUPAC name of 1-[4-(6H-pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]ethanone (CID 135550759) is 1-[4-(6H-pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]ethanone.
What is the SMILES notation for 1-[4-(6H-pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]ethanone?
The canonical SMILES for 1-[4-(6H-pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]ethanone is CC(=O)c1ccc(Nc2cc[nH]c3ccc4nccc4c23)cc1.
What is the InChIKey of 1-[4-(6H-pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]ethanone?
The InChIKey is DABGLVOMELIULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-12(23)13-2-4-14(5-3-13)22-18-9-11-21-17-7-6-16-15(19(17)18)8-10-20-16/h2-11,21-22H,1H3.
What are the key properties of 1-[4-(6H-pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]ethanone?
1-[4-(6H-pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]ethanone has a molecular weight of 301.35 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6H-pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]ethanone is sourced from PubChem (CID 135550759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).