2-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-3-propyl-1,2-dihydroquinazolin-4-one

C27H30N2O3 — CID 23819494

IUPAC2-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2NC1c1ccc(OC)c(COc2c(C)cccc2C)c1
InChIInChI=1S/C27H30N2O3/c1-5-15-29-26(28-23-12-7-6-11-22(23)27(29)30)20-13-14-24(31-4)21(16-20)17-32-25-18(2)9-8-10-19(25)3/h6-14,16,26,28H,5,15,17H2,1-4H3
InChIKeyZIJPOUTZIZRYLR-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.87
Rot. Bonds7

About 2-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-3-propyl-1,2-dihydroquinazolin-4-one

2-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-3-propyl-1,2-dihydroquinazolin-4-one (PubChem CID 23819494) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-3-propyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-3-propyl-1,2-dihydroquinazolin-4-one
PubChem CID23819494
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name2-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2NC1c1ccc(OC)c(COc2c(C)cccc2C)c1
InChIInChI=1S/C27H30N2O3/c1-5-15-29-26(28-23-12-7-6-11-22(23)27(29)30)20-13-14-24(31-4)21(16-20)17-32-25-18(2)9-8-10-19(25)3/h6-14,16,26,28H,5,15,17H2,1-4H3
InChIKeyZIJPOUTZIZRYLR-UHFFFAOYSA-N
XLogP5.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-3-propyl-1,2-dihydroquinazolin-4-one with MolForge

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Related Compounds

(2R)-2-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 2269761
2-[4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 2888394
(2S)-2-(4-methoxy-3-propoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009105
(2S)-3-propyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1131631
(2R)-2-(4-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 743586
2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 51172490
2-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 23767549
(2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 720958
N-ethyl-2-[2-methoxy-4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 9009141
(2S)-2-(2,3-dimethoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009187
(2R)-2-(2-methylphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 40709314
3-butyl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778948

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-3-propyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-3-propyl-1,2-dihydroquinazolin-4-one (CID 23819494) is 2-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-3-propyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-3-propyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-3-propyl-1,2-dihydroquinazolin-4-one is CCCN1C(=O)c2ccccc2NC1c1ccc(OC)c(COc2c(C)cccc2C)c1.
What is the InChIKey of 2-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-3-propyl-1,2-dihydroquinazolin-4-one?
The InChIKey is ZIJPOUTZIZRYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-5-15-29-26(28-23-12-7-6-11-22(23)27(29)30)20-13-14-24(31-4)21(16-20)17-32-25-18(2)9-8-10-19(25)3/h6-14,16,26,28H,5,15,17H2,1-4H3.
What are the key properties of 2-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-3-propyl-1,2-dihydroquinazolin-4-one?
2-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-3-propyl-1,2-dihydroquinazolin-4-one has a molecular weight of 430.55 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-3-propyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 23819494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).