6-chloro-4-(naphthalen-1-ylmethyl)-1,4-benzoxazin-3-one

C19H14ClNO2 — CID 23411070

IUPAC6-chloro-4-(naphthalen-1-ylmethyl)-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(Cl)cc2N1Cc1cccc2ccccc12
InChIInChI=1S/C19H14ClNO2/c20-15-8-9-18-17(10-15)21(19(22)12-23-18)11-14-6-3-5-13-4-1-2-7-16(13)14/h1-10H,11-12H2
InChIKeySJTIHQWQDHYUGG-UHFFFAOYSA-N
MW323.78 g/mol
LogP4.42
Rot. Bonds2

About 6-chloro-4-(naphthalen-1-ylmethyl)-1,4-benzoxazin-3-one

6-chloro-4-(naphthalen-1-ylmethyl)-1,4-benzoxazin-3-one (PubChem CID 23411070) has the molecular formula C19H14ClNO2 and a molecular weight of 323.78 g/mol. Its IUPAC name is 6-chloro-4-(naphthalen-1-ylmethyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-chloro-4-(naphthalen-1-ylmethyl)-1,4-benzoxazin-3-one
PubChem CID23411070
Molecular FormulaC19H14ClNO2
Molecular Weight323.78 g/mol
Exact Mass323.07
IUPAC Name6-chloro-4-(naphthalen-1-ylmethyl)-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(Cl)cc2N1Cc1cccc2ccccc12
InChIInChI=1S/C19H14ClNO2/c20-15-8-9-18-17(10-15)21(19(22)12-23-18)11-14-6-3-5-13-4-1-2-7-16(13)14/h1-10H,11-12H2
InChIKeySJTIHQWQDHYUGG-UHFFFAOYSA-N
XLogP4.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(naphthalen-1-ylmethyl)-1,4-benzoxazin-3-one?
The IUPAC name of 6-chloro-4-(naphthalen-1-ylmethyl)-1,4-benzoxazin-3-one (CID 23411070) is 6-chloro-4-(naphthalen-1-ylmethyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-chloro-4-(naphthalen-1-ylmethyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 6-chloro-4-(naphthalen-1-ylmethyl)-1,4-benzoxazin-3-one is O=C1COc2ccc(Cl)cc2N1Cc1cccc2ccccc12.
What is the InChIKey of 6-chloro-4-(naphthalen-1-ylmethyl)-1,4-benzoxazin-3-one?
The InChIKey is SJTIHQWQDHYUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO2/c20-15-8-9-18-17(10-15)21(19(22)12-23-18)11-14-6-3-5-13-4-1-2-7-16(13)14/h1-10H,11-12H2.
What are the key properties of 6-chloro-4-(naphthalen-1-ylmethyl)-1,4-benzoxazin-3-one?
6-chloro-4-(naphthalen-1-ylmethyl)-1,4-benzoxazin-3-one has a molecular weight of 323.78 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(naphthalen-1-ylmethyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 23411070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).