2,3-dimethyl-N-piperidin-4-ylquinolin-5-amine;formamide;hydrochloride

C17H25ClN4O — CID 175301043

IUPAC2,3-dimethyl-N-piperidin-4-ylquinolin-5-amine;formamide;hydrochloride
SMILESCc1cc2c(NC3CCNCC3)cccc2nc1C.Cl.NC=O
InChIInChI=1S/C16H21N3.CH3NO.ClH/c1-11-10-14-15(18-12(11)2)4-3-5-16(14)19-13-6-8-17-9-7-13;2-1-3;/h3-5,10,13,17,19H,6-9H2,1-2H3;1H,(H2,2,3);1H
InChIKeyBGCQTOILTFROOT-UHFFFAOYSA-N
MW336.87 g/mol
LogP2.54
Rot. Bonds2

About 2,3-dimethyl-N-piperidin-4-ylquinolin-5-amine;formamide;hydrochloride

2,3-dimethyl-N-piperidin-4-ylquinolin-5-amine;formamide;hydrochloride (PubChem CID 175301043) has the molecular formula C17H25ClN4O and a molecular weight of 336.87 g/mol. Its IUPAC name is 2,3-dimethyl-N-piperidin-4-ylquinolin-5-amine;formamide;hydrochloride.

Molecular Properties

Compound Name2,3-dimethyl-N-piperidin-4-ylquinolin-5-amine;formamide;hydrochloride
PubChem CID175301043
Molecular FormulaC17H25ClN4O
Molecular Weight336.87 g/mol
Exact Mass336.17
IUPAC Name2,3-dimethyl-N-piperidin-4-ylquinolin-5-amine;formamide;hydrochloride
SMILESCc1cc2c(NC3CCNCC3)cccc2nc1C.Cl.NC=O
InChIInChI=1S/C16H21N3.CH3NO.ClH/c1-11-10-14-15(18-12(11)2)4-3-5-16(14)19-13-6-8-17-9-7-13;2-1-3;/h3-5,10,13,17,19H,6-9H2,1-2H3;1H,(H2,2,3);1H
InChIKeyBGCQTOILTFROOT-UHFFFAOYSA-N
XLogP2.54
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methoxy-3-(piperidin-4-ylamino)benzaldehyde
CID 171102953
2-methyl-N-piperidin-4-ylpyridin-3-amine
CID 79041620
N-(2-methyl-3-nitrophenyl)piperidin-4-amine
CID 61016357
5-(azepan-4-ylamino)naphthalen-1-ol
CID 103981451
N-(2-methylphenyl)pyrrolidin-3-amine
CID 79725314
4-methyl-N-piperidin-4-ylisoquinolin-5-amine;bis(2,2,2-trifluoroacetic acid)
CID 117073173
2-methoxy-N-piperidin-4-ylquinolin-3-amine
CID 175781003
N-(3-methylphenyl)piperidin-4-amine;dihydrochloride
CID 66545678
N-(2-benzylphenyl)azepan-4-amine
CID 103980459
4-phenyl-N-piperidin-4-ylquinolin-2-amine
CID 170459367
N-[2-(azepan-4-ylamino)phenyl]methanesulfonamide
CID 103981459
2-(piperidin-4-ylamino)-3,1-benzoxazin-4-one
CID 18762616

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-piperidin-4-ylquinolin-5-amine;formamide;hydrochloride?
The IUPAC name of 2,3-dimethyl-N-piperidin-4-ylquinolin-5-amine;formamide;hydrochloride (CID 175301043) is 2,3-dimethyl-N-piperidin-4-ylquinolin-5-amine;formamide;hydrochloride.
What is the SMILES notation for 2,3-dimethyl-N-piperidin-4-ylquinolin-5-amine;formamide;hydrochloride?
The canonical SMILES for 2,3-dimethyl-N-piperidin-4-ylquinolin-5-amine;formamide;hydrochloride is Cc1cc2c(NC3CCNCC3)cccc2nc1C.Cl.NC=O.
What is the InChIKey of 2,3-dimethyl-N-piperidin-4-ylquinolin-5-amine;formamide;hydrochloride?
The InChIKey is BGCQTOILTFROOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3.CH3NO.ClH/c1-11-10-14-15(18-12(11)2)4-3-5-16(14)19-13-6-8-17-9-7-13;2-1-3;/h3-5,10,13,17,19H,6-9H2,1-2H3;1H,(H2,2,3);1H.
What are the key properties of 2,3-dimethyl-N-piperidin-4-ylquinolin-5-amine;formamide;hydrochloride?
2,3-dimethyl-N-piperidin-4-ylquinolin-5-amine;formamide;hydrochloride has a molecular weight of 336.87 g/mol, XLogP of 2.54, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-piperidin-4-ylquinolin-5-amine;formamide;hydrochloride is sourced from PubChem (CID 175301043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).