1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidine-3-carboxamide

C20H18Cl2N4O — CID 134210536

IUPAC1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ncnc3cccc(-c4ccc(Cl)c(Cl)c4)c23)C1
InChIInChI=1S/C20H18Cl2N4O/c21-15-7-6-12(9-16(15)22)14-4-1-5-17-18(14)20(25-11-24-17)26-8-2-3-13(10-26)19(23)27/h1,4-7,9,11,13H,2-3,8,10H2,(H2,23,27)
InChIKeyLQDWLVYCYAUYKX-UHFFFAOYSA-N
MW401.30 g/mol
LogP4.31
Rot. Bonds3

About 1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidine-3-carboxamide

1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidine-3-carboxamide (PubChem CID 134210536) has the molecular formula C20H18Cl2N4O and a molecular weight of 401.30 g/mol. Its IUPAC name is 1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidine-3-carboxamide
PubChem CID134210536
Molecular FormulaC20H18Cl2N4O
Molecular Weight401.30 g/mol
Exact Mass400.09
IUPAC Name1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ncnc3cccc(-c4ccc(Cl)c(Cl)c4)c23)C1
InChIInChI=1S/C20H18Cl2N4O/c21-15-7-6-12(9-16(15)22)14-4-1-5-17-18(14)20(25-11-24-17)26-8-2-3-13(10-26)19(23)27/h1,4-7,9,11,13H,2-3,8,10H2,(H2,23,27)
InChIKeyLQDWLVYCYAUYKX-UHFFFAOYSA-N
XLogP4.31
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]-N-methylsulfanylpiperidine-3-carboxamide
CID 134220274
(Z)-2-[1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-yl]-2-hydrazinylethenamine
CID 142278475
1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-ol
CID 134211393
1-[5-(3-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220226
(3R)-1-[5-(3-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220358
(3S)-1-[5-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220216
1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidine-3-carbonitrile
CID 134210287
1-(5-naphthalen-2-ylquinazolin-4-yl)piperidine-3-carboxylic acid
CID 134210616
(3S)-1-(5-fluoroquinazolin-4-yl)piperidine-3-carboxamide
CID 94519630
1-[5-(3,4-dichlorophenyl)-7-methylquinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220246
1-[5-(3-fluorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220206
methyl 1-[2-amino-5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidine-3-carboxylate
CID 134210579

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidine-3-carboxamide (CID 134210536) is 1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2ncnc3cccc(-c4ccc(Cl)c(Cl)c4)c23)C1.
What is the InChIKey of 1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidine-3-carboxamide?
The InChIKey is LQDWLVYCYAUYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O/c21-15-7-6-12(9-16(15)22)14-4-1-5-17-18(14)20(25-11-24-17)26-8-2-3-13(10-26)19(23)27/h1,4-7,9,11,13H,2-3,8,10H2,(H2,23,27).
What are the key properties of 1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidine-3-carboxamide?
1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidine-3-carboxamide has a molecular weight of 401.30 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 1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 134210536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).