7-[(4-fluorophenyl)methyl]-8-hydroxy-N,N-dimethylpyrrolo[3,4-g]quinoline-5-carboxamide

C21H18FN3O2 — CID 90730063

IUPAC7-[(4-fluorophenyl)methyl]-8-hydroxy-N,N-dimethylpyrrolo[3,4-g]quinoline-5-carboxamide
SMILESCN(C)C(=O)c1c2cccnc2cc2c(O)n(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C21H18FN3O2/c1-24(2)21(27)19-15-4-3-9-23-18(15)10-16-17(19)12-25(20(16)26)11-13-5-7-14(22)8-6-13/h3-10,12,26H,11H2,1-2H3
InChIKeyZOGFSJCVNDCZDO-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.78
Rot. Bonds3

About 7-[(4-fluorophenyl)methyl]-8-hydroxy-N,N-dimethylpyrrolo[3,4-g]quinoline-5-carboxamide

7-[(4-fluorophenyl)methyl]-8-hydroxy-N,N-dimethylpyrrolo[3,4-g]quinoline-5-carboxamide (PubChem CID 90730063) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-8-hydroxy-N,N-dimethylpyrrolo[3,4-g]quinoline-5-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-8-hydroxy-N,N-dimethylpyrrolo[3,4-g]quinoline-5-carboxamide
PubChem CID90730063
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name7-[(4-fluorophenyl)methyl]-8-hydroxy-N,N-dimethylpyrrolo[3,4-g]quinoline-5-carboxamide
SMILESCN(C)C(=O)c1c2cccnc2cc2c(O)n(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C21H18FN3O2/c1-24(2)21(27)19-15-4-3-9-23-18(15)10-16-17(19)12-25(20(16)26)11-13-5-7-14(22)8-6-13/h3-10,12,26H,11H2,1-2H3
InChIKeyZOGFSJCVNDCZDO-UHFFFAOYSA-N
XLogP3.78
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

S-16020
CID 177330
N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6,10-trimethylpyrido[4,3-b]carbazole-1-carboxamide
CID 9908441
7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one
CID 16072870
6-[3-[1-[(4-Hydroxyphenyl)methyl]piperidin-4-yl]propanoyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-11-one
CID 53316982
N(2),N(6)-Dimethyl-9-hydroxyellipticinium
CID 125770
N-[2-(dimethylamino)ethyl]-6-ethyl-9-hydroxy-5-methylpyrido[4,3-b]carbazole-1-carboxamide
CID 10023296
N-(2-(Dimethylamino)ethyl)-9-hydroxy-5-methyl-6H-pyrido(4,3-b)carbazole-1-carboxamide
CID 10044194
N-[3-(dimethylamino)propyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide
CID 10045078
N-[3-(dimethylamino)propyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide
CID 10249816
N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6,11-trimethylpyrido[4,3-b]carbazole-1-carboxamide
CID 10475507
9-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide
CID 10475622
1-[(4-Aminobutyl)aminocarbonyl]-5,6-dimethyl-9-hydroxy-6H-pyrido[4,3-b]carbazole
CID 11740258

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-8-hydroxy-N,N-dimethylpyrrolo[3,4-g]quinoline-5-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-8-hydroxy-N,N-dimethylpyrrolo[3,4-g]quinoline-5-carboxamide (CID 90730063) is 7-[(4-fluorophenyl)methyl]-8-hydroxy-N,N-dimethylpyrrolo[3,4-g]quinoline-5-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-8-hydroxy-N,N-dimethylpyrrolo[3,4-g]quinoline-5-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-8-hydroxy-N,N-dimethylpyrrolo[3,4-g]quinoline-5-carboxamide is CN(C)C(=O)c1c2cccnc2cc2c(O)n(Cc3ccc(F)cc3)cc12.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-8-hydroxy-N,N-dimethylpyrrolo[3,4-g]quinoline-5-carboxamide?
The InChIKey is ZOGFSJCVNDCZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-24(2)21(27)19-15-4-3-9-23-18(15)10-16-17(19)12-25(20(16)26)11-13-5-7-14(22)8-6-13/h3-10,12,26H,11H2,1-2H3.
What are the key properties of 7-[(4-fluorophenyl)methyl]-8-hydroxy-N,N-dimethylpyrrolo[3,4-g]quinoline-5-carboxamide?
7-[(4-fluorophenyl)methyl]-8-hydroxy-N,N-dimethylpyrrolo[3,4-g]quinoline-5-carboxamide has a molecular weight of 363.39 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-8-hydroxy-N,N-dimethylpyrrolo[3,4-g]quinoline-5-carboxamide is sourced from PubChem (CID 90730063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).