N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide

C18H19ClN6O — CID 171997340

IUPACN-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCN(c3ncnc4ccc(Cl)cc34)CC2)n1
InChIInChI=1S/C18H19ClN6O/c1-24-7-6-16(23-24)18(26)22-13-4-8-25(9-5-13)17-14-10-12(19)2-3-15(14)20-11-21-17/h2-3,6-7,10-11,13H,4-5,8-9H2,1H3,(H,22,26)
InChIKeyGLNISXGAPPJWCM-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.42
Rot. Bonds3

About N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide

N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 171997340) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
PubChem CID171997340
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC NameN-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCN(c3ncnc4ccc(Cl)cc34)CC2)n1
InChIInChI=1S/C18H19ClN6O/c1-24-7-6-16(23-24)18(26)22-13-4-8-25(9-5-13)17-14-10-12(19)2-3-15(14)20-11-21-17/h2-3,6-7,10-11,13H,4-5,8-9H2,1H3,(H,22,26)
InChIKeyGLNISXGAPPJWCM-UHFFFAOYSA-N
XLogP2.42
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide (CID 171997340) is N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NC2CCN(c3ncnc4ccc(Cl)cc34)CC2)n1.
What is the InChIKey of N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is GLNISXGAPPJWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O/c1-24-7-6-16(23-24)18(26)22-13-4-8-25(9-5-13)17-14-10-12(19)2-3-15(14)20-11-21-17/h2-3,6-7,10-11,13H,4-5,8-9H2,1H3,(H,22,26).
What are the key properties of N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 171997340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).