2-(4-oxoquinazolin-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide

C23H21N5O2 — CID 60525455

IUPAC2-(4-oxoquinazolin-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1
InChIInChI=1S/C23H21N5O2/c29-22(14-28-15-24-19-6-2-1-5-18(19)23(28)30)25-17-10-8-16(9-11-17)20-13-27-12-4-3-7-21(27)26-20/h1-2,5-6,8-11,13,15H,3-4,7,12,14H2,(H,25,29)
InChIKeyGUUYBPPFFATERP-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.23
Rot. Bonds4

About 2-(4-oxoquinazolin-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide

2-(4-oxoquinazolin-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide (PubChem CID 60525455) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-(4-oxoquinazolin-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-oxoquinazolin-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
PubChem CID60525455
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name2-(4-oxoquinazolin-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1
InChIInChI=1S/C23H21N5O2/c29-22(14-28-15-24-19-6-2-1-5-18(19)23(28)30)25-17-10-8-16(9-11-17)20-13-27-12-4-3-7-21(27)26-20/h1-2,5-6,8-11,13,15H,3-4,7,12,14H2,(H,25,29)
InChIKeyGUUYBPPFFATERP-UHFFFAOYSA-N
XLogP3.23
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide?
The IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide (CID 60525455) is 2-(4-oxoquinazolin-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-oxoquinazolin-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-oxoquinazolin-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide is O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1.
What is the InChIKey of 2-(4-oxoquinazolin-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide?
The InChIKey is GUUYBPPFFATERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c29-22(14-28-15-24-19-6-2-1-5-18(19)23(28)30)25-17-10-8-16(9-11-17)20-13-27-12-4-3-7-21(27)26-20/h1-2,5-6,8-11,13,15H,3-4,7,12,14H2,(H,25,29).
What are the key properties of 2-(4-oxoquinazolin-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide?
2-(4-oxoquinazolin-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide has a molecular weight of 399.45 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinazolin-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide is sourced from PubChem (CID 60525455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).