7-chloro-3-(2-hydroxy-3-naphthalen-1-yloxypropyl)quinazolin-4-one

C21H17ClN2O3 — CID 17462195

IUPAC7-chloro-3-(2-hydroxy-3-naphthalen-1-yloxypropyl)quinazolin-4-one
SMILESO=c1c2ccc(Cl)cc2ncn1CC(O)COc1cccc2ccccc12
InChIInChI=1S/C21H17ClN2O3/c22-15-8-9-18-19(10-15)23-13-24(21(18)26)11-16(25)12-27-20-7-3-5-14-4-1-2-6-17(14)20/h1-10,13,16,25H,11-12H2
InChIKeyCQCGZWZTQLUSFS-UHFFFAOYSA-N
MW380.83 g/mol
LogP3.64
Rot. Bonds5

About 7-chloro-3-(2-hydroxy-3-naphthalen-1-yloxypropyl)quinazolin-4-one

7-chloro-3-(2-hydroxy-3-naphthalen-1-yloxypropyl)quinazolin-4-one (PubChem CID 17462195) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is 7-chloro-3-(2-hydroxy-3-naphthalen-1-yloxypropyl)quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-3-(2-hydroxy-3-naphthalen-1-yloxypropyl)quinazolin-4-one
PubChem CID17462195
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC Name7-chloro-3-(2-hydroxy-3-naphthalen-1-yloxypropyl)quinazolin-4-one
SMILESO=c1c2ccc(Cl)cc2ncn1CC(O)COc1cccc2ccccc12
InChIInChI=1S/C21H17ClN2O3/c22-15-8-9-18-19(10-15)23-13-24(21(18)26)11-16(25)12-27-20-7-3-5-14-4-1-2-6-17(14)20/h1-10,13,16,25H,11-12H2
InChIKeyCQCGZWZTQLUSFS-UHFFFAOYSA-N
XLogP3.64
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2-hydroxy-3-naphthalen-1-yloxypropyl)quinazolin-4-one?
The IUPAC name of 7-chloro-3-(2-hydroxy-3-naphthalen-1-yloxypropyl)quinazolin-4-one (CID 17462195) is 7-chloro-3-(2-hydroxy-3-naphthalen-1-yloxypropyl)quinazolin-4-one.
What is the SMILES notation for 7-chloro-3-(2-hydroxy-3-naphthalen-1-yloxypropyl)quinazolin-4-one?
The canonical SMILES for 7-chloro-3-(2-hydroxy-3-naphthalen-1-yloxypropyl)quinazolin-4-one is O=c1c2ccc(Cl)cc2ncn1CC(O)COc1cccc2ccccc12.
What is the InChIKey of 7-chloro-3-(2-hydroxy-3-naphthalen-1-yloxypropyl)quinazolin-4-one?
The InChIKey is CQCGZWZTQLUSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c22-15-8-9-18-19(10-15)23-13-24(21(18)26)11-16(25)12-27-20-7-3-5-14-4-1-2-6-17(14)20/h1-10,13,16,25H,11-12H2.
What are the key properties of 7-chloro-3-(2-hydroxy-3-naphthalen-1-yloxypropyl)quinazolin-4-one?
7-chloro-3-(2-hydroxy-3-naphthalen-1-yloxypropyl)quinazolin-4-one has a molecular weight of 380.83 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2-hydroxy-3-naphthalen-1-yloxypropyl)quinazolin-4-one is sourced from PubChem (CID 17462195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).