1-(6-chloroquinazolin-4-yl)-N-cyclopropylpiperidine-4-carboxamide

C17H19ClN4O — CID 163352823

IUPAC1-(6-chloroquinazolin-4-yl)-N-cyclopropylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2ncnc3ccc(Cl)cc23)CC1
InChIInChI=1S/C17H19ClN4O/c18-12-1-4-15-14(9-12)16(20-10-19-15)22-7-5-11(6-8-22)17(23)21-13-2-3-13/h1,4,9-11,13H,2-3,5-8H2,(H,21,23)
InChIKeyOLYALBWCCUNBEK-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.78
Rot. Bonds3

About 1-(6-chloroquinazolin-4-yl)-N-cyclopropylpiperidine-4-carboxamide

1-(6-chloroquinazolin-4-yl)-N-cyclopropylpiperidine-4-carboxamide (PubChem CID 163352823) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is 1-(6-chloroquinazolin-4-yl)-N-cyclopropylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-chloroquinazolin-4-yl)-N-cyclopropylpiperidine-4-carboxamide
PubChem CID163352823
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name1-(6-chloroquinazolin-4-yl)-N-cyclopropylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2ncnc3ccc(Cl)cc23)CC1
InChIInChI=1S/C17H19ClN4O/c18-12-1-4-15-14(9-12)16(20-10-19-15)22-7-5-11(6-8-22)17(23)21-13-2-3-13/h1,4,9-11,13H,2-3,5-8H2,(H,21,23)
InChIKeyOLYALBWCCUNBEK-UHFFFAOYSA-N
XLogP2.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171997340
N-(5-chloro-2-pyridinyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidine-4-carboxamide
CID 167785418
1-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide
CID 163349240
2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 87015310
N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide
CID 24829708
1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid
CID 71563722
1-[4-(6-chloroquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 171328778
N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
CID 86839632
N-cyclopentyl-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46362791
N-cyclopropyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 141448653
1-(6-chloroquinazolin-4-yl)-N-methylsulfanylpiperidin-3-amine
CID 142582714
N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide
CID 163357688

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloroquinazolin-4-yl)-N-cyclopropylpiperidine-4-carboxamide?
The IUPAC name of 1-(6-chloroquinazolin-4-yl)-N-cyclopropylpiperidine-4-carboxamide (CID 163352823) is 1-(6-chloroquinazolin-4-yl)-N-cyclopropylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(6-chloroquinazolin-4-yl)-N-cyclopropylpiperidine-4-carboxamide?
The canonical SMILES for 1-(6-chloroquinazolin-4-yl)-N-cyclopropylpiperidine-4-carboxamide is O=C(NC1CC1)C1CCN(c2ncnc3ccc(Cl)cc23)CC1.
What is the InChIKey of 1-(6-chloroquinazolin-4-yl)-N-cyclopropylpiperidine-4-carboxamide?
The InChIKey is OLYALBWCCUNBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c18-12-1-4-15-14(9-12)16(20-10-19-15)22-7-5-11(6-8-22)17(23)21-13-2-3-13/h1,4,9-11,13H,2-3,5-8H2,(H,21,23).
What are the key properties of 1-(6-chloroquinazolin-4-yl)-N-cyclopropylpiperidine-4-carboxamide?
1-(6-chloroquinazolin-4-yl)-N-cyclopropylpiperidine-4-carboxamide has a molecular weight of 330.82 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloroquinazolin-4-yl)-N-cyclopropylpiperidine-4-carboxamide is sourced from PubChem (CID 163352823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).