6-chloro-3-[(3-chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine

C18H14Cl2N2O — CID 580795

IUPAC6-chloro-3-[(3-chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
SMILESClc1cccc(CN2COc3c(cc(Cl)c4cccnc34)C2)c1
InChIInChI=1S/C18H14Cl2N2O/c19-14-4-1-3-12(7-14)9-22-10-13-8-16(20)15-5-2-6-21-17(15)18(13)23-11-22/h1-8H,9-11H2
InChIKeyKDKWXOJMQIWBFJ-UHFFFAOYSA-N
MW345.23 g/mol
LogP4.89
Rot. Bonds2

About 6-chloro-3-[(3-chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine

6-chloro-3-[(3-chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine (PubChem CID 580795) has the molecular formula C18H14Cl2N2O and a molecular weight of 345.23 g/mol. Its IUPAC name is 6-chloro-3-[(3-chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine.

Molecular Properties

Compound Name6-chloro-3-[(3-chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
PubChem CID580795
Molecular FormulaC18H14Cl2N2O
Molecular Weight345.23 g/mol
Exact Mass344.05
IUPAC Name6-chloro-3-[(3-chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
SMILESClc1cccc(CN2COc3c(cc(Cl)c4cccnc34)C2)c1
InChIInChI=1S/C18H14Cl2N2O/c19-14-4-1-3-12(7-14)9-22-10-13-8-16(20)15-5-2-6-21-17(15)18(13)23-11-22/h1-8H,9-11H2
InChIKeyKDKWXOJMQIWBFJ-UHFFFAOYSA-N
XLogP4.89
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(3-chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine?
The IUPAC name of 6-chloro-3-[(3-chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine (CID 580795) is 6-chloro-3-[(3-chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine.
What is the SMILES notation for 6-chloro-3-[(3-chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine?
The canonical SMILES for 6-chloro-3-[(3-chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine is Clc1cccc(CN2COc3c(cc(Cl)c4cccnc34)C2)c1.
What is the InChIKey of 6-chloro-3-[(3-chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine?
The InChIKey is KDKWXOJMQIWBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O/c19-14-4-1-3-12(7-14)9-22-10-13-8-16(20)15-5-2-6-21-17(15)18(13)23-11-22/h1-8H,9-11H2.
What are the key properties of 6-chloro-3-[(3-chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine?
6-chloro-3-[(3-chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine has a molecular weight of 345.23 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(3-chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine is sourced from PubChem (CID 580795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).