2-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3H-quinazolin-4-one

C19H20N2O3 — CID 168551682

IUPAC2-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3H-quinazolin-4-one
SMILESCOCc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OC(C)C
InChIInChI=1S/C19H20N2O3/c1-12(2)24-17-9-8-13(10-14(17)11-23-3)18-20-16-7-5-4-6-15(16)19(22)21-18/h4-10,12H,11H2,1-3H3,(H,20,21,22)
InChIKeyBNAMBXJRMSQZQS-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.52
Rot. Bonds5

About 2-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3H-quinazolin-4-one

2-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3H-quinazolin-4-one (PubChem CID 168551682) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3H-quinazolin-4-one
PubChem CID168551682
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3H-quinazolin-4-one
SMILESCOCc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OC(C)C
InChIInChI=1S/C19H20N2O3/c1-12(2)24-17-9-8-13(10-14(17)11-23-3)18-20-16-7-5-4-6-15(16)19(22)21-18/h4-10,12H,11H2,1-3H3,(H,20,21,22)
InChIKeyBNAMBXJRMSQZQS-UHFFFAOYSA-N
XLogP3.52
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one
CID 168551574
2-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-3H-quinazolin-4-one
CID 168551388
2-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-3H-quinazolin-4-one
CID 168551226
2-[4-(propan-2-yloxymethyl)phenyl]-3H-quinazolin-4-one
CID 168551161
2-[3-[(2-tert-butyl-5-methylphenoxy)methyl]-4-methoxyphenyl]-3H-quinazolin-4-one
CID 168551548
2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one
CID 168551046
2-[4-methoxy-3-[(5-methyl-2-nitrophenoxy)methyl]phenyl]-3H-quinazolin-4-one
CID 168551554
methyl 2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 168550749
2-[3-methoxy-4-(phenylsulfanylmethyl)phenyl]-3H-quinazolin-4-one
CID 168551572
2-(3-chloro-4-propoxyphenyl)-3H-quinazolin-4-one
CID 168551941
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
2-[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 135472158

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3H-quinazolin-4-one (CID 168551682) is 2-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3H-quinazolin-4-one is COCc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OC(C)C.
What is the InChIKey of 2-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3H-quinazolin-4-one?
The InChIKey is BNAMBXJRMSQZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12(2)24-17-9-8-13(10-14(17)11-23-3)18-20-16-7-5-4-6-15(16)19(22)21-18/h4-10,12H,11H2,1-3H3,(H,20,21,22).
What are the key properties of 2-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3H-quinazolin-4-one?
2-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3H-quinazolin-4-one has a molecular weight of 324.38 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168551682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).