3,4-dichloro-5-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide

C20H20Cl2N4O — CID 141113998

IUPAC3,4-dichloro-5-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
SMILESCc1[nH]c(C(=O)NC2CCN(c3ccnc4ccccc34)CC2)c(Cl)c1Cl
InChIInChI=1S/C20H20Cl2N4O/c1-12-17(21)18(22)19(24-12)20(27)25-13-7-10-26(11-8-13)16-6-9-23-15-5-3-2-4-14(15)16/h2-6,9,13,24H,7-8,10-11H2,1H3,(H,25,27)
InChIKeySDQSVOWETJOXOP-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.58
Rot. Bonds3

About 3,4-dichloro-5-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide

3,4-dichloro-5-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide (PubChem CID 141113998) has the molecular formula C20H20Cl2N4O and a molecular weight of 403.31 g/mol. Its IUPAC name is 3,4-dichloro-5-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3,4-dichloro-5-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
PubChem CID141113998
Molecular FormulaC20H20Cl2N4O
Molecular Weight403.31 g/mol
Exact Mass402.10
IUPAC Name3,4-dichloro-5-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
SMILESCc1[nH]c(C(=O)NC2CCN(c3ccnc4ccccc34)CC2)c(Cl)c1Cl
InChIInChI=1S/C20H20Cl2N4O/c1-12-17(21)18(22)19(24-12)20(27)25-13-7-10-26(11-8-13)16-6-9-23-15-5-3-2-4-14(15)16/h2-6,9,13,24H,7-8,10-11H2,1H3,(H,25,27)
InChIKeySDQSVOWETJOXOP-UHFFFAOYSA-N
XLogP4.58
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-N-methoxypyridine-2-carboxamide
CID 86608342
4-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-6-fluoroquinoline-2-carboxylic acid
CID 69361200
3,4-dichloro-5-methyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 68582659
1-(4-methylphenyl)-3-(1-quinolin-4-ylpiperidin-4-yl)urea
CID 44525916
2-chloro-3-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)benzamide;4-phenoxy-N-(1-quinolin-4-ylpiperidin-4-yl)benzamide
CID 68880273
3-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]benzoic acid
CID 11315436
2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 11463807
methyl 4-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-6-fluoroquinoline-2-carboxylate
CID 69360102
1-(1-quinolin-4-ylpiperidin-4-yl)ethanone
CID 63845490
3,4-dichloro-5-methyl-N-(4-phenylcyclohexyl)-1H-pyrrole-2-carboxamide
CID 141153851
methyl 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]thiophene-2-carboxylate
CID 68580137
N-(1-carbamoylsulfonylpiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide
CID 141277841

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-5-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 3,4-dichloro-5-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide (CID 141113998) is 3,4-dichloro-5-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3,4-dichloro-5-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3,4-dichloro-5-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide is Cc1[nH]c(C(=O)NC2CCN(c3ccnc4ccccc34)CC2)c(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-5-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is SDQSVOWETJOXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O/c1-12-17(21)18(22)19(24-12)20(27)25-13-7-10-26(11-8-13)16-6-9-23-15-5-3-2-4-14(15)16/h2-6,9,13,24H,7-8,10-11H2,1H3,(H,25,27).
What are the key properties of 3,4-dichloro-5-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide?
3,4-dichloro-5-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 403.31 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-5-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 141113998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).