(1R)-1-(3,4-dimethoxyphenyl)-1,2-dihydroimidazo[5,1-b]quinazoline-3,9-dione

C18H15N3O4 — CID 71497852

IUPAC(1R)-1-(3,4-dimethoxyphenyl)-1,2-dihydroimidazo[5,1-b]quinazoline-3,9-dione
SMILESCOc1ccc([C@@H]2NC(=O)c3nc4ccccc4c(=O)n32)cc1OC
InChIInChI=1S/C18H15N3O4/c1-24-13-8-7-10(9-14(13)25-2)15-20-17(22)16-19-12-6-4-3-5-11(12)18(23)21(15)16/h3-9,15H,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyOJOUGKIQHXKVND-OAHLLOKOSA-N
MW337.34 g/mol
LogP1.70
Rot. Bonds3

About (1R)-1-(3,4-dimethoxyphenyl)-1,2-dihydroimidazo[5,1-b]quinazoline-3,9-dione

(1R)-1-(3,4-dimethoxyphenyl)-1,2-dihydroimidazo[5,1-b]quinazoline-3,9-dione (PubChem CID 71497852) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is (1R)-1-(3,4-dimethoxyphenyl)-1,2-dihydroimidazo[5,1-b]quinazoline-3,9-dione.

Molecular Properties

Compound Name(1R)-1-(3,4-dimethoxyphenyl)-1,2-dihydroimidazo[5,1-b]quinazoline-3,9-dione
PubChem CID71497852
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name(1R)-1-(3,4-dimethoxyphenyl)-1,2-dihydroimidazo[5,1-b]quinazoline-3,9-dione
SMILESCOc1ccc([C@@H]2NC(=O)c3nc4ccccc4c(=O)n32)cc1OC
InChIInChI=1S/C18H15N3O4/c1-24-13-8-7-10(9-14(13)25-2)15-20-17(22)16-19-12-6-4-3-5-11(12)18(23)21(15)16/h3-9,15H,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyOJOUGKIQHXKVND-OAHLLOKOSA-N
XLogP1.70
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-dimethoxyphenyl)-1,2-dihydroimidazo[5,1-b]quinazoline-3,9-dione?
The IUPAC name of (1R)-1-(3,4-dimethoxyphenyl)-1,2-dihydroimidazo[5,1-b]quinazoline-3,9-dione (CID 71497852) is (1R)-1-(3,4-dimethoxyphenyl)-1,2-dihydroimidazo[5,1-b]quinazoline-3,9-dione.
What is the SMILES notation for (1R)-1-(3,4-dimethoxyphenyl)-1,2-dihydroimidazo[5,1-b]quinazoline-3,9-dione?
The canonical SMILES for (1R)-1-(3,4-dimethoxyphenyl)-1,2-dihydroimidazo[5,1-b]quinazoline-3,9-dione is COc1ccc([C@@H]2NC(=O)c3nc4ccccc4c(=O)n32)cc1OC.
What is the InChIKey of (1R)-1-(3,4-dimethoxyphenyl)-1,2-dihydroimidazo[5,1-b]quinazoline-3,9-dione?
The InChIKey is OJOUGKIQHXKVND-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-24-13-8-7-10(9-14(13)25-2)15-20-17(22)16-19-12-6-4-3-5-11(12)18(23)21(15)16/h3-9,15H,1-2H3,(H,20,22)/t15-/m1/s1.
What are the key properties of (1R)-1-(3,4-dimethoxyphenyl)-1,2-dihydroimidazo[5,1-b]quinazoline-3,9-dione?
(1R)-1-(3,4-dimethoxyphenyl)-1,2-dihydroimidazo[5,1-b]quinazoline-3,9-dione has a molecular weight of 337.34 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4-dimethoxyphenyl)-1,2-dihydroimidazo[5,1-b]quinazoline-3,9-dione is sourced from PubChem (CID 71497852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).