2-(2-heptoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one

C21H26N2O2 — CID 54778417

IUPAC2-(2-heptoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCCCCCCCOc1ccccc1C1NC(=O)c2ccccc2N1
InChIInChI=1S/C21H26N2O2/c1-2-3-4-5-10-15-25-19-14-9-7-12-17(19)20-22-18-13-8-6-11-16(18)21(24)23-20/h6-9,11-14,20,22H,2-5,10,15H2,1H3,(H,23,24)
InChIKeyOADJBXHDMJBIFD-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.89
Rot. Bonds8

About 2-(2-heptoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one

2-(2-heptoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 54778417) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(2-heptoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-heptoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID54778417
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-(2-heptoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCCCCCCCOc1ccccc1C1NC(=O)c2ccccc2N1
InChIInChI=1S/C21H26N2O2/c1-2-3-4-5-10-15-25-19-14-9-7-12-17(19)20-22-18-13-8-6-11-16(18)21(24)23-20/h6-9,11-14,20,22H,2-5,10,15H2,1H3,(H,23,24)
InChIKeyOADJBXHDMJBIFD-UHFFFAOYSA-N
XLogP4.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-phosphanyloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 70948912
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
3-(3-methoxypropyl)-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778649
2,7-bis[6-(9H-fluoren-9-yl)hexoxy]-3,6,10,11-tetrapentoxytriphenylene
CID 101153566
2-(2-butoxyphenyl)-3-butyl-1,2-dihydroquinazolin-4-one
CID 54778916
2-(2-butoxyphenyl)-3-propan-2-yl-1,2-dihydroquinazolin-4-one
CID 54777899
1-octadecoxy-2-phenylbenzene
CID 70983974
2-octadecoxycyclohepta-2,4,6-trien-1-one
CID 102106864
1,5-di(pentadecoxy)anthracene-9,10-dione
CID 132915778
2-(4-hexoxy-3-methoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 54778229
9-nonyl-9H-fluorene
CID 22568532

Frequently Asked Questions

What is the IUPAC name of 2-(2-heptoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 2-(2-heptoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one (CID 54778417) is 2-(2-heptoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 2-(2-heptoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 2-(2-heptoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one is CCCCCCCOc1ccccc1C1NC(=O)c2ccccc2N1.
What is the InChIKey of 2-(2-heptoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is OADJBXHDMJBIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-2-3-4-5-10-15-25-19-14-9-7-12-17(19)20-22-18-13-8-6-11-16(18)21(24)23-20/h6-9,11-14,20,22H,2-5,10,15H2,1H3,(H,23,24).
What are the key properties of 2-(2-heptoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
2-(2-heptoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 338.45 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-heptoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 54778417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).