(5-methoxy-8-methyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone

C19H19N3O2 — CID 13301031

IUPAC(5-methoxy-8-methyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone
SMILESCOc1nc2nc(C(=O)c3ccccc3)cn2c2c1CCC(C)C2
InChIInChI=1S/C19H19N3O2/c1-12-8-9-14-16(10-12)22-11-15(20-19(22)21-18(14)24-2)17(23)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
InChIKeyZHZGHHDHOCDOBX-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.09
Rot. Bonds3

About (5-methoxy-8-methyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone

(5-methoxy-8-methyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone (PubChem CID 13301031) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (5-methoxy-8-methyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-methoxy-8-methyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone
PubChem CID13301031
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(5-methoxy-8-methyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone
SMILESCOc1nc2nc(C(=O)c3ccccc3)cn2c2c1CCC(C)C2
InChIInChI=1S/C19H19N3O2/c1-12-8-9-14-16(10-12)22-11-15(20-19(22)21-18(14)24-2)17(23)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
InChIKeyZHZGHHDHOCDOBX-UHFFFAOYSA-N
XLogP3.09
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-8-methyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone?
The IUPAC name of (5-methoxy-8-methyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone (CID 13301031) is (5-methoxy-8-methyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone.
What is the SMILES notation for (5-methoxy-8-methyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone?
The canonical SMILES for (5-methoxy-8-methyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone is COc1nc2nc(C(=O)c3ccccc3)cn2c2c1CCC(C)C2.
What is the InChIKey of (5-methoxy-8-methyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone?
The InChIKey is ZHZGHHDHOCDOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-8-9-14-16(10-12)22-11-15(20-19(22)21-18(14)24-2)17(23)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3.
What are the key properties of (5-methoxy-8-methyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone?
(5-methoxy-8-methyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone has a molecular weight of 321.38 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-8-methyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone is sourced from PubChem (CID 13301031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).