(7-chloro-8-methylquinolin-3-yl)-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone

C23H26ClN5O — CID 166402725

IUPAC(7-chloro-8-methylquinolin-3-yl)-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1c(Cl)ccc2cc(C(=O)N3CCN(c4ccc(CN(C)C)cn4)CC3)cnc12
InChIInChI=1S/C23H26ClN5O/c1-16-20(24)6-5-18-12-19(14-26-22(16)18)23(30)29-10-8-28(9-11-29)21-7-4-17(13-25-21)15-27(2)3/h4-7,12-14H,8-11,15H2,1-3H3
InChIKeyNJNZRIGZZDBRGI-UHFFFAOYSA-N
MW423.95 g/mol
LogP3.62
Rot. Bonds4

About (7-chloro-8-methylquinolin-3-yl)-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone

(7-chloro-8-methylquinolin-3-yl)-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 166402725) has the molecular formula C23H26ClN5O and a molecular weight of 423.95 g/mol. Its IUPAC name is (7-chloro-8-methylquinolin-3-yl)-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(7-chloro-8-methylquinolin-3-yl)-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID166402725
Molecular FormulaC23H26ClN5O
Molecular Weight423.95 g/mol
Exact Mass423.18
IUPAC Name(7-chloro-8-methylquinolin-3-yl)-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1c(Cl)ccc2cc(C(=O)N3CCN(c4ccc(CN(C)C)cn4)CC3)cnc12
InChIInChI=1S/C23H26ClN5O/c1-16-20(24)6-5-18-12-19(14-26-22(16)18)23(30)29-10-8-28(9-11-29)21-7-4-17(13-25-21)15-27(2)3/h4-7,12-14H,8-11,15H2,1-3H3
InChIKeyNJNZRIGZZDBRGI-UHFFFAOYSA-N
XLogP3.62
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.95
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7-chloro-8-methylquinolin-3-yl)-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone
CID 166235300
[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-[3-[[(4-methylpyrimidin-2-yl)amino]methyl]phenyl]methanone
CID 166207538
8-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]-5H-benzo[b][1,4]benzoxazepin-6-one
CID 166402697
N,N-dimethyl-1-[6-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]methanamine
CID 133329565
[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-[3-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]methanone
CID 166402719
[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone
CID 166402671
1-[6-[4-(6-chloro-2,8-dimethylquinolin-4-yl)piperazin-1-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 166215967
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone
CID 166402728
4-acetyl-2-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]benzonitrile
CID 133457756
1-[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine
CID 166010057
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 56820288
1-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)ethanone
CID 126798913

Frequently Asked Questions

What is the IUPAC name of (7-chloro-8-methylquinolin-3-yl)-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of (7-chloro-8-methylquinolin-3-yl)-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone (CID 166402725) is (7-chloro-8-methylquinolin-3-yl)-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for (7-chloro-8-methylquinolin-3-yl)-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for (7-chloro-8-methylquinolin-3-yl)-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone is Cc1c(Cl)ccc2cc(C(=O)N3CCN(c4ccc(CN(C)C)cn4)CC3)cnc12.
What is the InChIKey of (7-chloro-8-methylquinolin-3-yl)-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is NJNZRIGZZDBRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O/c1-16-20(24)6-5-18-12-19(14-26-22(16)18)23(30)29-10-8-28(9-11-29)21-7-4-17(13-25-21)15-27(2)3/h4-7,12-14H,8-11,15H2,1-3H3.
What are the key properties of (7-chloro-8-methylquinolin-3-yl)-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone?
(7-chloro-8-methylquinolin-3-yl)-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 423.95 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-8-methylquinolin-3-yl)-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 166402725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).