6-(3H-benzimidazol-5-yl)-N-methyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine

C23H25N5 — CID 173470267

IUPAC6-(3H-benzimidazol-5-yl)-N-methyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine
SMILESCN1CCC(N(C)c2ccnc3ccc(-c4ccc5nc[nH]c5c4)cc23)CC1
InChIInChI=1S/C23H25N5/c1-27-11-8-18(9-12-27)28(2)23-7-10-24-20-5-3-16(13-19(20)23)17-4-6-21-22(14-17)26-15-25-21/h3-7,10,13-15,18H,8-9,11-12H2,1-2H3,(H,25,26)
InChIKeyBWPKGPPDOROBHC-UHFFFAOYSA-N
MW371.49 g/mol
LogP4.31
Rot. Bonds3

About 6-(3H-benzimidazol-5-yl)-N-methyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine

6-(3H-benzimidazol-5-yl)-N-methyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine (PubChem CID 173470267) has the molecular formula C23H25N5 and a molecular weight of 371.49 g/mol. Its IUPAC name is 6-(3H-benzimidazol-5-yl)-N-methyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine.

Molecular Properties

Compound Name6-(3H-benzimidazol-5-yl)-N-methyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine
PubChem CID173470267
Molecular FormulaC23H25N5
Molecular Weight371.49 g/mol
Exact Mass371.21
IUPAC Name6-(3H-benzimidazol-5-yl)-N-methyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine
SMILESCN1CCC(N(C)c2ccnc3ccc(-c4ccc5nc[nH]c5c4)cc23)CC1
InChIInChI=1S/C23H25N5/c1-27-11-8-18(9-12-27)28(2)23-7-10-24-20-5-3-16(13-19(20)23)17-4-6-21-22(14-17)26-15-25-21/h3-7,10,13-15,18H,8-9,11-12H2,1-2H3,(H,25,26)
InChIKeyBWPKGPPDOROBHC-UHFFFAOYSA-N
XLogP4.31
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazole
CID 141109073
7-(3H-benzimidazol-5-yl)-4-quinolin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine
CID 59586649
6-(2-methyltetrazol-5-yl)-1H-benzimidazole
CID 91211393
4-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 145392722
1-[1-[6-(1H-indol-5-yl)quinolin-4-yl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 141424335
6-methoxy-N,2-dimethyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine
CID 110434275
5-iodo-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136970668
N-methyl-N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine
CID 59314610
4-[3H-benzimidazol-5-ylmethyl(methyl)amino]cyclohexan-1-one
CID 117039748
6-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 39830614
3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527
6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-benzimidazole
CID 165396571

Frequently Asked Questions

What is the IUPAC name of 6-(3H-benzimidazol-5-yl)-N-methyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine?
The IUPAC name of 6-(3H-benzimidazol-5-yl)-N-methyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine (CID 173470267) is 6-(3H-benzimidazol-5-yl)-N-methyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine.
What is the SMILES notation for 6-(3H-benzimidazol-5-yl)-N-methyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine?
The canonical SMILES for 6-(3H-benzimidazol-5-yl)-N-methyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine is CN1CCC(N(C)c2ccnc3ccc(-c4ccc5nc[nH]c5c4)cc23)CC1.
What is the InChIKey of 6-(3H-benzimidazol-5-yl)-N-methyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine?
The InChIKey is BWPKGPPDOROBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5/c1-27-11-8-18(9-12-27)28(2)23-7-10-24-20-5-3-16(13-19(20)23)17-4-6-21-22(14-17)26-15-25-21/h3-7,10,13-15,18H,8-9,11-12H2,1-2H3,(H,25,26).
What are the key properties of 6-(3H-benzimidazol-5-yl)-N-methyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine?
6-(3H-benzimidazol-5-yl)-N-methyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine has a molecular weight of 371.49 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3H-benzimidazol-5-yl)-N-methyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine is sourced from PubChem (CID 173470267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).