N,N-dimethyl-3-[2-[1-(4-methylquinolin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine

C23H31N5 — CID 72940306

IUPACN,N-dimethyl-3-[2-[1-(4-methylquinolin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
SMILESCc1cc(N2CCCC(c3nccn3CCCN(C)C)C2)nc2ccccc12
InChIInChI=1S/C23H31N5/c1-18-16-22(25-21-10-5-4-9-20(18)21)28-13-6-8-19(17-28)23-24-11-15-27(23)14-7-12-26(2)3/h4-5,9-11,15-16,19H,6-8,12-14,17H2,1-3H3
InChIKeyRXIIJLWKDWVNKT-UHFFFAOYSA-N
MW377.54 g/mol
LogP4.08
Rot. Bonds6

About N,N-dimethyl-3-[2-[1-(4-methylquinolin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine

N,N-dimethyl-3-[2-[1-(4-methylquinolin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine (PubChem CID 72940306) has the molecular formula C23H31N5 and a molecular weight of 377.54 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-[1-(4-methylquinolin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-[1-(4-methylquinolin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
PubChem CID72940306
Molecular FormulaC23H31N5
Molecular Weight377.54 g/mol
Exact Mass377.26
IUPAC NameN,N-dimethyl-3-[2-[1-(4-methylquinolin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
SMILESCc1cc(N2CCCC(c3nccn3CCCN(C)C)C2)nc2ccccc12
InChIInChI=1S/C23H31N5/c1-18-16-22(25-21-10-5-4-9-20(18)21)28-13-6-8-19(17-28)23-24-11-15-27(23)14-7-12-26(2)3/h4-5,9-11,15-16,19H,6-8,12-14,17H2,1-3H3
InChIKeyRXIIJLWKDWVNKT-UHFFFAOYSA-N
XLogP4.08
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-[2-[1-(2-methylquinolin-4-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
CID 72838131
4-methyl-2-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 72859530
N,N-dimethyl-2-[2-[(3S)-1-(2-methylquinolin-4-yl)piperidin-3-yl]imidazol-1-yl]ethanamine
CID 97189808
2-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline
CID 97209448
2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline
CID 72934277
N,N-dimethyl-3-[2-[(3R)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
CID 97209396
N,N-dimethyl-1-[4-methyl-5-[(3S)-1-(4-methylquinolin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine
CID 95860779
N,N-dimethyl-2-[2-(1-quinolin-4-ylpiperidin-3-yl)imidazol-1-yl]ethanamine
CID 72863111
N,N-dimethyl-3-[2-[(3S)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
CID 97277170
2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-4-methyl-6-methylsulfanylquinoline
CID 97128222
2-[2-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
CID 72884806
N,N-dimethyl-2-[2-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazol-1-yl]ethanamine
CID 97211142

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-[1-(4-methylquinolin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[2-[1-(4-methylquinolin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine (CID 72940306) is N,N-dimethyl-3-[2-[1-(4-methylquinolin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[2-[1-(4-methylquinolin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[2-[1-(4-methylquinolin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine is Cc1cc(N2CCCC(c3nccn3CCCN(C)C)C2)nc2ccccc12.
What is the InChIKey of N,N-dimethyl-3-[2-[1-(4-methylquinolin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine?
The InChIKey is RXIIJLWKDWVNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5/c1-18-16-22(25-21-10-5-4-9-20(18)21)28-13-6-8-19(17-28)23-24-11-15-27(23)14-7-12-26(2)3/h4-5,9-11,15-16,19H,6-8,12-14,17H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[2-[1-(4-methylquinolin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine?
N,N-dimethyl-3-[2-[1-(4-methylquinolin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine has a molecular weight of 377.54 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-[1-(4-methylquinolin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine is sourced from PubChem (CID 72940306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).