2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazoline-7-carboxamide

C17H24N4O2 — CID 58885003

IUPAC2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazoline-7-carboxamide
SMILESCC(C)N1CCC(N2Cc3ccc(C(N)=O)cc3NC2=O)CC1
InChIInChI=1S/C17H24N4O2/c1-11(2)20-7-5-14(6-8-20)21-10-13-4-3-12(16(18)22)9-15(13)19-17(21)23/h3-4,9,11,14H,5-8,10H2,1-2H3,(H2,18,22)(H,19,23)
InChIKeyKTZLDADDZSPLBG-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.01
Rot. Bonds3

About 2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazoline-7-carboxamide

2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazoline-7-carboxamide (PubChem CID 58885003) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazoline-7-carboxamide.

Molecular Properties

Compound Name2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazoline-7-carboxamide
PubChem CID58885003
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazoline-7-carboxamide
SMILESCC(C)N1CCC(N2Cc3ccc(C(N)=O)cc3NC2=O)CC1
InChIInChI=1S/C17H24N4O2/c1-11(2)20-7-5-14(6-8-20)21-10-13-4-3-12(16(18)22)9-15(13)19-17(21)23/h3-4,9,11,14H,5-8,10H2,1-2H3,(H2,18,22)(H,19,23)
InChIKeyKTZLDADDZSPLBG-UHFFFAOYSA-N
XLogP2.01
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazoline-7-carboxamide?
The IUPAC name of 2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazoline-7-carboxamide (CID 58885003) is 2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazoline-7-carboxamide.
What is the SMILES notation for 2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazoline-7-carboxamide?
The canonical SMILES for 2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazoline-7-carboxamide is CC(C)N1CCC(N2Cc3ccc(C(N)=O)cc3NC2=O)CC1.
What is the InChIKey of 2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazoline-7-carboxamide?
The InChIKey is KTZLDADDZSPLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11(2)20-7-5-14(6-8-20)21-10-13-4-3-12(16(18)22)9-15(13)19-17(21)23/h3-4,9,11,14H,5-8,10H2,1-2H3,(H2,18,22)(H,19,23).
What are the key properties of 2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazoline-7-carboxamide?
2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazoline-7-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazoline-7-carboxamide is sourced from PubChem (CID 58885003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).