3-amino-2-cyclopropyl-6-[4-(phenoxymethyl)phenyl]quinazolin-4-one

C24H21N3O2 — CID 176686082

IUPAC3-amino-2-cyclopropyl-6-[4-(phenoxymethyl)phenyl]quinazolin-4-one
SMILESNn1c(C2CC2)nc2ccc(-c3ccc(COc4ccccc4)cc3)cc2c1=O
InChIInChI=1S/C24H21N3O2/c25-27-23(18-10-11-18)26-22-13-12-19(14-21(22)24(27)28)17-8-6-16(7-9-17)15-29-20-4-2-1-3-5-20/h1-9,12-14,18H,10-11,15,25H2
InChIKeyQKDFVSMHULMXRO-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.23
Rot. Bonds5

About 3-amino-2-cyclopropyl-6-[4-(phenoxymethyl)phenyl]quinazolin-4-one

3-amino-2-cyclopropyl-6-[4-(phenoxymethyl)phenyl]quinazolin-4-one (PubChem CID 176686082) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-amino-2-cyclopropyl-6-[4-(phenoxymethyl)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-cyclopropyl-6-[4-(phenoxymethyl)phenyl]quinazolin-4-one
PubChem CID176686082
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name3-amino-2-cyclopropyl-6-[4-(phenoxymethyl)phenyl]quinazolin-4-one
SMILESNn1c(C2CC2)nc2ccc(-c3ccc(COc4ccccc4)cc3)cc2c1=O
InChIInChI=1S/C24H21N3O2/c25-27-23(18-10-11-18)26-22-13-12-19(14-21(22)24(27)28)17-8-6-16(7-9-17)15-29-20-4-2-1-3-5-20/h1-9,12-14,18H,10-11,15,25H2
InChIKeyQKDFVSMHULMXRO-UHFFFAOYSA-N
XLogP4.23
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclopropyl-6-[4-(phenoxymethyl)phenyl]quinazolin-4-one?
The IUPAC name of 3-amino-2-cyclopropyl-6-[4-(phenoxymethyl)phenyl]quinazolin-4-one (CID 176686082) is 3-amino-2-cyclopropyl-6-[4-(phenoxymethyl)phenyl]quinazolin-4-one.
What is the SMILES notation for 3-amino-2-cyclopropyl-6-[4-(phenoxymethyl)phenyl]quinazolin-4-one?
The canonical SMILES for 3-amino-2-cyclopropyl-6-[4-(phenoxymethyl)phenyl]quinazolin-4-one is Nn1c(C2CC2)nc2ccc(-c3ccc(COc4ccccc4)cc3)cc2c1=O.
What is the InChIKey of 3-amino-2-cyclopropyl-6-[4-(phenoxymethyl)phenyl]quinazolin-4-one?
The InChIKey is QKDFVSMHULMXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c25-27-23(18-10-11-18)26-22-13-12-19(14-21(22)24(27)28)17-8-6-16(7-9-17)15-29-20-4-2-1-3-5-20/h1-9,12-14,18H,10-11,15,25H2.
What are the key properties of 3-amino-2-cyclopropyl-6-[4-(phenoxymethyl)phenyl]quinazolin-4-one?
3-amino-2-cyclopropyl-6-[4-(phenoxymethyl)phenyl]quinazolin-4-one has a molecular weight of 383.45 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclopropyl-6-[4-(phenoxymethyl)phenyl]quinazolin-4-one is sourced from PubChem (CID 176686082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).