2-[2-(2-methylpropoxy)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one

C21H26N2O2 — CID 54778169

IUPAC2-[2-(2-methylpropoxy)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2NC1c1ccccc1OCC(C)C
InChIInChI=1S/C21H26N2O2/c1-4-13-23-20(22-18-11-7-5-9-16(18)21(23)24)17-10-6-8-12-19(17)25-14-15(2)3/h5-12,15,20,22H,4,13-14H2,1-3H3
InChIKeyUDZXKAXALQTEAG-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.70
Rot. Bonds6

About 2-[2-(2-methylpropoxy)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one

2-[2-(2-methylpropoxy)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one (PubChem CID 54778169) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[2-(2-methylpropoxy)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[2-(2-methylpropoxy)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
PubChem CID54778169
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-[2-(2-methylpropoxy)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2NC1c1ccccc1OCC(C)C
InChIInChI=1S/C21H26N2O2/c1-4-13-23-20(22-18-11-7-5-9-16(18)21(23)24)17-10-6-8-12-19(17)25-14-15(2)3/h5-12,15,20,22H,4,13-14H2,1-3H3
InChIKeyUDZXKAXALQTEAG-UHFFFAOYSA-N
XLogP4.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methylpropoxy)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 54778133
2-(2-butoxyphenyl)-3-butyl-1,2-dihydroquinazolin-4-one
CID 54778916
2-[2-(2-methylpropoxy)phenyl]-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 54779758
(2R)-2-(2-methylphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 40709314
(2R)-2-(3-ethoxy-2-hydroxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009018
(2R)-2-(3-methoxy-2-propan-2-yloxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009148
(2S)-2-(2,3-dimethoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009187
(2S)-2-(2-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009021
3-(3-methoxypropyl)-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778649
3-butyl-2-[2-(2-methylprop-2-enoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54780257
3-ethyl-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778020
2-(2-hexoxyphenyl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
CID 54778650

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropoxy)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-[2-(2-methylpropoxy)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one (CID 54778169) is 2-[2-(2-methylpropoxy)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[2-(2-methylpropoxy)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-[2-(2-methylpropoxy)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one is CCCN1C(=O)c2ccccc2NC1c1ccccc1OCC(C)C.
What is the InChIKey of 2-[2-(2-methylpropoxy)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one?
The InChIKey is UDZXKAXALQTEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-4-13-23-20(22-18-11-7-5-9-16(18)21(23)24)17-10-6-8-12-19(17)25-14-15(2)3/h5-12,15,20,22H,4,13-14H2,1-3H3.
What are the key properties of 2-[2-(2-methylpropoxy)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one?
2-[2-(2-methylpropoxy)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one has a molecular weight of 338.45 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropoxy)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54778169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).