5-(2-methoxyphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline

C29H21N3O — CID 177379715

IUPAC5-(2-methoxyphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline
SMILESCOc1ccccc1-c1nc2ccccc2c2nc(-c3ccccc3)c(-c3ccccc3)n12
InChIInChI=1S/C29H21N3O/c1-33-25-19-11-9-17-23(25)29-30-24-18-10-8-16-22(24)28-31-26(20-12-4-2-5-13-20)27(32(28)29)21-14-6-3-7-15-21/h2-19H,1H3
InChIKeyBDTCYXCIRZIEMQ-UHFFFAOYSA-N
MW427.51 g/mol
LogP6.89
Rot. Bonds4

About 5-(2-methoxyphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline

5-(2-methoxyphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline (PubChem CID 177379715) has the molecular formula C29H21N3O and a molecular weight of 427.51 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline
PubChem CID177379715
Molecular FormulaC29H21N3O
Molecular Weight427.51 g/mol
Exact Mass427.17
IUPAC Name5-(2-methoxyphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline
SMILESCOc1ccccc1-c1nc2ccccc2c2nc(-c3ccccc3)c(-c3ccccc3)n12
InChIInChI=1S/C29H21N3O/c1-33-25-19-11-9-17-23(25)29-30-24-18-10-8-16-22(24)28-31-26(20-12-4-2-5-13-20)27(32(28)29)21-14-6-3-7-15-21/h2-19H,1H3
InChIKeyBDTCYXCIRZIEMQ-UHFFFAOYSA-N
XLogP6.89
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline?
The IUPAC name of 5-(2-methoxyphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline (CID 177379715) is 5-(2-methoxyphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline.
What is the SMILES notation for 5-(2-methoxyphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline?
The canonical SMILES for 5-(2-methoxyphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline is COc1ccccc1-c1nc2ccccc2c2nc(-c3ccccc3)c(-c3ccccc3)n12.
What is the InChIKey of 5-(2-methoxyphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline?
The InChIKey is BDTCYXCIRZIEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3O/c1-33-25-19-11-9-17-23(25)29-30-24-18-10-8-16-22(24)28-31-26(20-12-4-2-5-13-20)27(32(28)29)21-14-6-3-7-15-21/h2-19H,1H3.
What are the key properties of 5-(2-methoxyphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline?
5-(2-methoxyphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline has a molecular weight of 427.51 g/mol, XLogP of 6.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline is sourced from PubChem (CID 177379715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).