2-methyl-N-phenyl-5-(piperidin-4-ylamino)quinoline-8-carboxamide;hydrochloride

C22H25ClN4O — CID 175301099

IUPAC2-methyl-N-phenyl-5-(piperidin-4-ylamino)quinoline-8-carboxamide;hydrochloride
SMILESCc1ccc2c(NC3CCNCC3)ccc(C(=O)Nc3ccccc3)c2n1.Cl
InChIInChI=1S/C22H24N4O.ClH/c1-15-7-8-18-20(25-17-11-13-23-14-12-17)10-9-19(21(18)24-15)22(27)26-16-5-3-2-4-6-16;/h2-10,17,23,25H,11-14H2,1H3,(H,26,27);1H
InChIKeyVTCUFFFCKCKZBZ-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.38
Rot. Bonds4

About 2-methyl-N-phenyl-5-(piperidin-4-ylamino)quinoline-8-carboxamide;hydrochloride

2-methyl-N-phenyl-5-(piperidin-4-ylamino)quinoline-8-carboxamide;hydrochloride (PubChem CID 175301099) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is 2-methyl-N-phenyl-5-(piperidin-4-ylamino)quinoline-8-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-phenyl-5-(piperidin-4-ylamino)quinoline-8-carboxamide;hydrochloride
PubChem CID175301099
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name2-methyl-N-phenyl-5-(piperidin-4-ylamino)quinoline-8-carboxamide;hydrochloride
SMILESCc1ccc2c(NC3CCNCC3)ccc(C(=O)Nc3ccccc3)c2n1.Cl
InChIInChI=1S/C22H24N4O.ClH/c1-15-7-8-18-20(25-17-11-13-23-14-12-17)10-9-19(21(18)24-15)22(27)26-16-5-3-2-4-6-16;/h2-10,17,23,25H,11-14H2,1H3,(H,26,27);1H
InChIKeyVTCUFFFCKCKZBZ-UHFFFAOYSA-N
XLogP4.38
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenyl-5-(piperidin-4-ylamino)quinoline-8-carboxamide;hydrochloride?
The IUPAC name of 2-methyl-N-phenyl-5-(piperidin-4-ylamino)quinoline-8-carboxamide;hydrochloride (CID 175301099) is 2-methyl-N-phenyl-5-(piperidin-4-ylamino)quinoline-8-carboxamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-phenyl-5-(piperidin-4-ylamino)quinoline-8-carboxamide;hydrochloride?
The canonical SMILES for 2-methyl-N-phenyl-5-(piperidin-4-ylamino)quinoline-8-carboxamide;hydrochloride is Cc1ccc2c(NC3CCNCC3)ccc(C(=O)Nc3ccccc3)c2n1.Cl.
What is the InChIKey of 2-methyl-N-phenyl-5-(piperidin-4-ylamino)quinoline-8-carboxamide;hydrochloride?
The InChIKey is VTCUFFFCKCKZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O.ClH/c1-15-7-8-18-20(25-17-11-13-23-14-12-17)10-9-19(21(18)24-15)22(27)26-16-5-3-2-4-6-16;/h2-10,17,23,25H,11-14H2,1H3,(H,26,27);1H.
What are the key properties of 2-methyl-N-phenyl-5-(piperidin-4-ylamino)quinoline-8-carboxamide;hydrochloride?
2-methyl-N-phenyl-5-(piperidin-4-ylamino)quinoline-8-carboxamide;hydrochloride has a molecular weight of 396.92 g/mol, XLogP of 4.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenyl-5-(piperidin-4-ylamino)quinoline-8-carboxamide;hydrochloride is sourced from PubChem (CID 175301099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).