4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide

C23H28N4O — CID 156631271

IUPAC4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide
SMILESCCCCCCNc1ccc2ncc(C(=O)NC)c(Nc3ccccc3)c2c1
InChIInChI=1S/C23H28N4O/c1-3-4-5-9-14-25-18-12-13-21-19(15-18)22(20(16-26-21)23(28)24-2)27-17-10-7-6-8-11-17/h6-8,10-13,15-16,25H,3-5,9,14H2,1-2H3,(H,24,28)(H,26,27)
InChIKeyVPTGXKPVJHDKIV-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.33
Rot. Bonds9

About 4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide

4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide (PubChem CID 156631271) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide
PubChem CID156631271
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide
SMILESCCCCCCNc1ccc2ncc(C(=O)NC)c(Nc3ccccc3)c2c1
InChIInChI=1S/C23H28N4O/c1-3-4-5-9-14-25-18-12-13-21-19(15-18)22(20(16-26-21)23(28)24-2)27-17-10-7-6-8-11-17/h6-8,10-13,15-16,25H,3-5,9,14H2,1-2H3,(H,24,28)(H,26,27)
InChIKeyVPTGXKPVJHDKIV-UHFFFAOYSA-N
XLogP5.33
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-anilino-N-ethyl-6-[3-fluoro-4-(methylcarbamoyl)phenyl]quinoline-3-carboxamide
CID 156547219
1-[4-anilino-6-[6-(butylamino)-3-pyridinyl]quinolin-3-yl]ethanone
CID 161061498
4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide
CID 127029779
N-methyl-3-(octylamino)benzamide
CID 43130223
4-(4-methylanilino)-6-(methylcarbamoyl)quinoline-3-carboxylic acid
CID 58173125
4-anilino-N-methyl-6-[5-(methylcarbamoyl)pyrazin-2-yl]-7-(trifluoromethyl)quinoline-3-carboxamide
CID 156547209
4-anilino-6-(1-ethylpyrazol-4-yl)-7-methoxy-N-methylquinoline-3-carboxamide
CID 156547134
N-nonadecylaniline
CID 54509054
6-methoxy-4-[4-(3-morpholin-4-ylpropylamino)anilino]quinoline-3-carbohydrazide
CID 122193458
4-anilino-6-[4-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]octylcarbamoyl]phenyl]-N-methylquinoline-3-carboxamide
CID 149051432
CID 70563593
CID 70563593
N-heptylaniline;hydrate
CID 174886464

Frequently Asked Questions

What is the IUPAC name of 4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide?
The IUPAC name of 4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide (CID 156631271) is 4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide.
What is the SMILES notation for 4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide?
The canonical SMILES for 4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide is CCCCCCNc1ccc2ncc(C(=O)NC)c(Nc3ccccc3)c2c1.
What is the InChIKey of 4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide?
The InChIKey is VPTGXKPVJHDKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-3-4-5-9-14-25-18-12-13-21-19(15-18)22(20(16-26-21)23(28)24-2)27-17-10-7-6-8-11-17/h6-8,10-13,15-16,25H,3-5,9,14H2,1-2H3,(H,24,28)(H,26,27).
What are the key properties of 4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide?
4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 5.33, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide is sourced from PubChem (CID 156631271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).