2-(quinolin-4-ylamino)benzamide;dihydrochloride

C16H15Cl2N3O — CID 143657459

IUPAC2-(quinolin-4-ylamino)benzamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1ccccc1Nc1ccnc2ccccc12
InChIInChI=1S/C16H13N3O.2ClH/c17-16(20)12-6-2-4-8-14(12)19-15-9-10-18-13-7-3-1-5-11(13)15;;/h1-10H,(H2,17,20)(H,18,19);2*1H
InChIKeyXQQPTDRMUFZULE-UHFFFAOYSA-N
MW336.22 g/mol
LogP3.92
Rot. Bonds3

About 2-(quinolin-4-ylamino)benzamide;dihydrochloride

2-(quinolin-4-ylamino)benzamide;dihydrochloride (PubChem CID 143657459) has the molecular formula C16H15Cl2N3O and a molecular weight of 336.22 g/mol. Its IUPAC name is 2-(quinolin-4-ylamino)benzamide;dihydrochloride.

Molecular Properties

Compound Name2-(quinolin-4-ylamino)benzamide;dihydrochloride
PubChem CID143657459
Molecular FormulaC16H15Cl2N3O
Molecular Weight336.22 g/mol
Exact Mass335.06
IUPAC Name2-(quinolin-4-ylamino)benzamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1ccccc1Nc1ccnc2ccccc12
InChIInChI=1S/C16H13N3O.2ClH/c17-16(20)12-6-2-4-8-14(12)19-15-9-10-18-13-7-3-1-5-11(13)15;;/h1-10H,(H2,17,20)(H,18,19);2*1H
InChIKeyXQQPTDRMUFZULE-UHFFFAOYSA-N
XLogP3.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-(quinolin-5-ylamino)benzamide
CID 61306152
2-(quinolin-4-ylamino)acetamide
CID 61340443
1-[2-[(6-fluoroquinolin-4-yl)amino]phenyl]ethanone
CID 39850737
3-amino-4-(quinolin-5-ylamino)benzamide
CID 43448403
N-phenyl-4-(quinolin-4-ylamino)benzamide
CID 58472461
2-[[2-(2-carbamoylanilino)pyrimidin-4-yl]amino]benzoic acid;hydrochloride
CID 71501712
6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-4-ylamino)pyridine-3-carboxamide
CID 67775101
3-(quinolin-4-ylamino)butanamide
CID 115685011
N-(4-phenoxyphenyl)quinolin-4-amine;hydrochloride
CID 67699123
2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid;hydrochloride
CID 70546974
1-[2-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]ethanone
CID 53264744
3-(quinolin-5-ylamino)pyridine-4-carboxylic acid
CID 105062537

Frequently Asked Questions

What is the IUPAC name of 2-(quinolin-4-ylamino)benzamide;dihydrochloride?
The IUPAC name of 2-(quinolin-4-ylamino)benzamide;dihydrochloride (CID 143657459) is 2-(quinolin-4-ylamino)benzamide;dihydrochloride.
What is the SMILES notation for 2-(quinolin-4-ylamino)benzamide;dihydrochloride?
The canonical SMILES for 2-(quinolin-4-ylamino)benzamide;dihydrochloride is Cl.Cl.NC(=O)c1ccccc1Nc1ccnc2ccccc12.
What is the InChIKey of 2-(quinolin-4-ylamino)benzamide;dihydrochloride?
The InChIKey is XQQPTDRMUFZULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O.2ClH/c17-16(20)12-6-2-4-8-14(12)19-15-9-10-18-13-7-3-1-5-11(13)15;;/h1-10H,(H2,17,20)(H,18,19);2*1H.
What are the key properties of 2-(quinolin-4-ylamino)benzamide;dihydrochloride?
2-(quinolin-4-ylamino)benzamide;dihydrochloride has a molecular weight of 336.22 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinolin-4-ylamino)benzamide;dihydrochloride is sourced from PubChem (CID 143657459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).