N-(3-chloro-4-methylphenyl)-4-(2-methylquinoline-4-carbonyl)piperazine-1-carboxamide

C23H23ClN4O2 — CID 60557510

IUPACN-(3-chloro-4-methylphenyl)-4-(2-methylquinoline-4-carbonyl)piperazine-1-carboxamide
SMILESCc1cc(C(=O)N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c2ccccc2n1
InChIInChI=1S/C23H23ClN4O2/c1-15-7-8-17(14-20(15)24)26-23(30)28-11-9-27(10-12-28)22(29)19-13-16(2)25-21-6-4-3-5-18(19)21/h3-8,13-14H,9-12H2,1-2H3,(H,26,30)
InChIKeyMWYPKNHPZVLIQA-UHFFFAOYSA-N
MW422.92 g/mol
LogP4.49
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)-4-(2-methylquinoline-4-carbonyl)piperazine-1-carboxamide

N-(3-chloro-4-methylphenyl)-4-(2-methylquinoline-4-carbonyl)piperazine-1-carboxamide (PubChem CID 60557510) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-(2-methylquinoline-4-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-(2-methylquinoline-4-carbonyl)piperazine-1-carboxamide
PubChem CID60557510
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC NameN-(3-chloro-4-methylphenyl)-4-(2-methylquinoline-4-carbonyl)piperazine-1-carboxamide
SMILESCc1cc(C(=O)N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c2ccccc2n1
InChIInChI=1S/C23H23ClN4O2/c1-15-7-8-17(14-20(15)24)26-23(30)28-11-9-27(10-12-28)22(29)19-13-16(2)25-21-6-4-3-5-18(19)21/h3-8,13-14H,9-12H2,1-2H3,(H,26,30)
InChIKeyMWYPKNHPZVLIQA-UHFFFAOYSA-N
XLogP4.49
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-(2-methylquinoline-4-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-(2-methylquinoline-4-carbonyl)piperazine-1-carboxamide (CID 60557510) is N-(3-chloro-4-methylphenyl)-4-(2-methylquinoline-4-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-(2-methylquinoline-4-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-(2-methylquinoline-4-carbonyl)piperazine-1-carboxamide is Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c2ccccc2n1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-(2-methylquinoline-4-carbonyl)piperazine-1-carboxamide?
The InChIKey is MWYPKNHPZVLIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c1-15-7-8-17(14-20(15)24)26-23(30)28-11-9-27(10-12-28)22(29)19-13-16(2)25-21-6-4-3-5-18(19)21/h3-8,13-14H,9-12H2,1-2H3,(H,26,30).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-(2-methylquinoline-4-carbonyl)piperazine-1-carboxamide?
N-(3-chloro-4-methylphenyl)-4-(2-methylquinoline-4-carbonyl)piperazine-1-carboxamide has a molecular weight of 422.92 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-(2-methylquinoline-4-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 60557510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).