(2,4-diphenyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazin-3-yl)-phenylmethanone

C30H22N2O2 — CID 3723566

IUPAC(2,4-diphenyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazin-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1C(c2ccccc2)Oc2c(ccc3cccnc23)C1c1ccccc1
InChIInChI=1S/C30H22N2O2/c33-29(23-13-6-2-7-14-23)32-27(22-11-4-1-5-12-22)25-19-18-21-17-10-20-31-26(21)28(25)34-30(32)24-15-8-3-9-16-24/h1-20,27,30H
InChIKeyMQVOWBJKXKHVER-UHFFFAOYSA-N
MW442.52 g/mol
LogP6.56
Rot. Bonds3

About (2,4-diphenyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazin-3-yl)-phenylmethanone

(2,4-diphenyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazin-3-yl)-phenylmethanone (PubChem CID 3723566) has the molecular formula C30H22N2O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is (2,4-diphenyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazin-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(2,4-diphenyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazin-3-yl)-phenylmethanone
PubChem CID3723566
Molecular FormulaC30H22N2O2
Molecular Weight442.52 g/mol
Exact Mass442.17
IUPAC Name(2,4-diphenyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazin-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1C(c2ccccc2)Oc2c(ccc3cccnc23)C1c1ccccc1
InChIInChI=1S/C30H22N2O2/c33-29(23-13-6-2-7-14-23)32-27(22-11-4-1-5-12-22)25-19-18-21-17-10-20-31-26(21)28(25)34-30(32)24-15-8-3-9-16-24/h1-20,27,30H
InChIKeyMQVOWBJKXKHVER-UHFFFAOYSA-N
XLogP6.56
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-diphenyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazin-3-yl)-phenylmethanone?
The IUPAC name of (2,4-diphenyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazin-3-yl)-phenylmethanone (CID 3723566) is (2,4-diphenyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazin-3-yl)-phenylmethanone.
What is the SMILES notation for (2,4-diphenyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazin-3-yl)-phenylmethanone?
The canonical SMILES for (2,4-diphenyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazin-3-yl)-phenylmethanone is O=C(c1ccccc1)N1C(c2ccccc2)Oc2c(ccc3cccnc23)C1c1ccccc1.
What is the InChIKey of (2,4-diphenyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazin-3-yl)-phenylmethanone?
The InChIKey is MQVOWBJKXKHVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O2/c33-29(23-13-6-2-7-14-23)32-27(22-11-4-1-5-12-22)25-19-18-21-17-10-20-31-26(21)28(25)34-30(32)24-15-8-3-9-16-24/h1-20,27,30H.
What are the key properties of (2,4-diphenyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazin-3-yl)-phenylmethanone?
(2,4-diphenyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazin-3-yl)-phenylmethanone has a molecular weight of 442.52 g/mol, XLogP of 6.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diphenyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazin-3-yl)-phenylmethanone is sourced from PubChem (CID 3723566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).