7-chloro-3-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]quinazolin-4-one

C18H17ClN2O3 — CID 25439665

IUPAC7-chloro-3-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]quinazolin-4-one
SMILESCc1ccccc1OC[C@H](O)Cn1cnc2cc(Cl)ccc2c1=O
InChIInChI=1S/C18H17ClN2O3/c1-12-4-2-3-5-17(12)24-10-14(22)9-21-11-20-16-8-13(19)6-7-15(16)18(21)23/h2-8,11,14,22H,9-10H2,1H3/t14-/m1/s1
InChIKeyCNJZQOOIVJNOTP-CQSZACIVSA-N
MW344.80 g/mol
LogP2.80
Rot. Bonds5

About 7-chloro-3-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]quinazolin-4-one

7-chloro-3-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]quinazolin-4-one (PubChem CID 25439665) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 7-chloro-3-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-3-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]quinazolin-4-one
PubChem CID25439665
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name7-chloro-3-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]quinazolin-4-one
SMILESCc1ccccc1OC[C@H](O)Cn1cnc2cc(Cl)ccc2c1=O
InChIInChI=1S/C18H17ClN2O3/c1-12-4-2-3-5-17(12)24-10-14(22)9-21-11-20-16-8-13(19)6-7-15(16)18(21)23/h2-8,11,14,22H,9-10H2,1H3/t14-/m1/s1
InChIKeyCNJZQOOIVJNOTP-CQSZACIVSA-N
XLogP2.80
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]quinazolin-4-one?
The IUPAC name of 7-chloro-3-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]quinazolin-4-one (CID 25439665) is 7-chloro-3-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]quinazolin-4-one.
What is the SMILES notation for 7-chloro-3-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]quinazolin-4-one?
The canonical SMILES for 7-chloro-3-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]quinazolin-4-one is Cc1ccccc1OC[C@H](O)Cn1cnc2cc(Cl)ccc2c1=O.
What is the InChIKey of 7-chloro-3-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]quinazolin-4-one?
The InChIKey is CNJZQOOIVJNOTP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-12-4-2-3-5-17(12)24-10-14(22)9-21-11-20-16-8-13(19)6-7-15(16)18(21)23/h2-8,11,14,22H,9-10H2,1H3/t14-/m1/s1.
What are the key properties of 7-chloro-3-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]quinazolin-4-one?
7-chloro-3-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]quinazolin-4-one has a molecular weight of 344.80 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]quinazolin-4-one is sourced from PubChem (CID 25439665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).