2-(piperidin-4-ylamino)-N-pyrimidin-2-ylquinoline-8-carboxamide;hydrochloride

C19H21ClN6O — CID 175781009

IUPAC2-(piperidin-4-ylamino)-N-pyrimidin-2-ylquinoline-8-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ncccn1)c1cccc2ccc(NC3CCNCC3)nc12
InChIInChI=1S/C19H20N6O.ClH/c26-18(25-19-21-9-2-10-22-19)15-4-1-3-13-5-6-16(24-17(13)15)23-14-7-11-20-12-8-14;/h1-6,9-10,14,20H,7-8,11-12H2,(H,23,24)(H,21,22,25,26);1H
InChIKeyCSJWEODEJRYRAD-UHFFFAOYSA-N
MW384.87 g/mol
LogP2.86
Rot. Bonds4

About 2-(piperidin-4-ylamino)-N-pyrimidin-2-ylquinoline-8-carboxamide;hydrochloride

2-(piperidin-4-ylamino)-N-pyrimidin-2-ylquinoline-8-carboxamide;hydrochloride (PubChem CID 175781009) has the molecular formula C19H21ClN6O and a molecular weight of 384.87 g/mol. Its IUPAC name is 2-(piperidin-4-ylamino)-N-pyrimidin-2-ylquinoline-8-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(piperidin-4-ylamino)-N-pyrimidin-2-ylquinoline-8-carboxamide;hydrochloride
PubChem CID175781009
Molecular FormulaC19H21ClN6O
Molecular Weight384.87 g/mol
Exact Mass384.15
IUPAC Name2-(piperidin-4-ylamino)-N-pyrimidin-2-ylquinoline-8-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ncccn1)c1cccc2ccc(NC3CCNCC3)nc12
InChIInChI=1S/C19H20N6O.ClH/c26-18(25-19-21-9-2-10-22-19)15-4-1-3-13-5-6-16(24-17(13)15)23-14-7-11-20-12-8-14;/h1-6,9-10,14,20H,7-8,11-12H2,(H,23,24)(H,21,22,25,26);1H
InChIKeyCSJWEODEJRYRAD-UHFFFAOYSA-N
XLogP2.86
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-pyrimidin-2-ylquinoline-8-carboxamide
CID 175780986
2-methyl-N-piperidin-4-ylquinoline-8-carboxamide;dihydrochloride
CID 119386176
3-[6-(piperidin-4-ylamino)-3-pyridinyl]prop-2-enoic acid;dihydrochloride
CID 68965366
N-piperidin-4-yl-6-(trifluoromethyl)pyridin-2-amine;trihydrochloride
CID 86277771
methyl 6-(piperidin-4-ylamino)pyridine-2-carboxylate
CID 83841955
2-methyl-N-piperidin-4-ylpyrimidin-4-amine;dihydrochloride
CID 67373203
2-methyl-N-phenyl-5-(piperidin-4-ylamino)quinoline-8-carboxamide;hydrochloride
CID 175301099
4-[(8-chloroquinolin-2-yl)amino]piperidine-1-carboxylic acid
CID 154249318
2-methyl-N-(2-methylpiperidin-4-yl)quinoline-8-carboxamide;dihydrochloride
CID 120599721
N-[4-(cyclopropylcarbamoyl)phenyl]quinoline-8-carboxamide
CID 51300002
phenyl N-[6-(piperidin-4-ylamino)-4-(trifluoromethyl)-2-pyridinyl]carbamate
CID 118233953
6-chloro-N-piperidin-4-ylquinoline-8-carboxamide
CID 119386656

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylamino)-N-pyrimidin-2-ylquinoline-8-carboxamide;hydrochloride?
The IUPAC name of 2-(piperidin-4-ylamino)-N-pyrimidin-2-ylquinoline-8-carboxamide;hydrochloride (CID 175781009) is 2-(piperidin-4-ylamino)-N-pyrimidin-2-ylquinoline-8-carboxamide;hydrochloride.
What is the SMILES notation for 2-(piperidin-4-ylamino)-N-pyrimidin-2-ylquinoline-8-carboxamide;hydrochloride?
The canonical SMILES for 2-(piperidin-4-ylamino)-N-pyrimidin-2-ylquinoline-8-carboxamide;hydrochloride is Cl.O=C(Nc1ncccn1)c1cccc2ccc(NC3CCNCC3)nc12.
What is the InChIKey of 2-(piperidin-4-ylamino)-N-pyrimidin-2-ylquinoline-8-carboxamide;hydrochloride?
The InChIKey is CSJWEODEJRYRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O.ClH/c26-18(25-19-21-9-2-10-22-19)15-4-1-3-13-5-6-16(24-17(13)15)23-14-7-11-20-12-8-14;/h1-6,9-10,14,20H,7-8,11-12H2,(H,23,24)(H,21,22,25,26);1H.
What are the key properties of 2-(piperidin-4-ylamino)-N-pyrimidin-2-ylquinoline-8-carboxamide;hydrochloride?
2-(piperidin-4-ylamino)-N-pyrimidin-2-ylquinoline-8-carboxamide;hydrochloride has a molecular weight of 384.87 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylamino)-N-pyrimidin-2-ylquinoline-8-carboxamide;hydrochloride is sourced from PubChem (CID 175781009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).