4-(4-methylphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide

C27H32N4O — CID 18435988

IUPAC4-(4-methylphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide
SMILESCc1ccc(C2CCN(C(=O)Nc3ccc4cc(CN5CCCC5)cnc4c3)CC2)cc1
InChIInChI=1S/C27H32N4O/c1-20-4-6-22(7-5-20)23-10-14-31(15-11-23)27(32)29-25-9-8-24-16-21(18-28-26(24)17-25)19-30-12-2-3-13-30/h4-9,16-18,23H,2-3,10-15,19H2,1H3,(H,29,32)
InChIKeyQJMPLSWRBDLBFO-UHFFFAOYSA-N
MW428.58 g/mol
LogP5.55
Rot. Bonds4

About 4-(4-methylphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide

4-(4-methylphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide (PubChem CID 18435988) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide
PubChem CID18435988
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC Name4-(4-methylphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide
SMILESCc1ccc(C2CCN(C(=O)Nc3ccc4cc(CN5CCCC5)cnc4c3)CC2)cc1
InChIInChI=1S/C27H32N4O/c1-20-4-6-22(7-5-20)23-10-14-31(15-11-23)27(32)29-25-9-8-24-16-21(18-28-26(24)17-25)19-30-12-2-3-13-30/h4-9,16-18,23H,2-3,10-15,19H2,1H3,(H,29,32)
InChIKeyQJMPLSWRBDLBFO-UHFFFAOYSA-N
XLogP5.55
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(4-methylphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide (CID 18435988) is 4-(4-methylphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(4-methylphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide is Cc1ccc(C2CCN(C(=O)Nc3ccc4cc(CN5CCCC5)cnc4c3)CC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide?
The InChIKey is QJMPLSWRBDLBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/c1-20-4-6-22(7-5-20)23-10-14-31(15-11-23)27(32)29-25-9-8-24-16-21(18-28-26(24)17-25)19-30-12-2-3-13-30/h4-9,16-18,23H,2-3,10-15,19H2,1H3,(H,29,32).
What are the key properties of 4-(4-methylphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide?
4-(4-methylphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide has a molecular weight of 428.58 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide is sourced from PubChem (CID 18435988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).