2-[3-methoxy-4-(2-phenylethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one

C27H30N2O4 — CID 54779965

IUPAC2-[3-methoxy-4-(2-phenylethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
SMILESCOCCCN1C(=O)c2ccccc2NC1c1ccc(OCCc2ccccc2)c(OC)c1
InChIInChI=1S/C27H30N2O4/c1-31-17-8-16-29-26(28-23-12-7-6-11-22(23)27(29)30)21-13-14-24(25(19-21)32-2)33-18-15-20-9-4-3-5-10-20/h3-7,9-14,19,26,28H,8,15-18H2,1-2H3
InChIKeyAIVWZNGMKWKLTL-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.92
Rot. Bonds10

About 2-[3-methoxy-4-(2-phenylethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one

2-[3-methoxy-4-(2-phenylethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one (PubChem CID 54779965) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is 2-[3-methoxy-4-(2-phenylethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[3-methoxy-4-(2-phenylethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
PubChem CID54779965
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC Name2-[3-methoxy-4-(2-phenylethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
SMILESCOCCCN1C(=O)c2ccccc2NC1c1ccc(OCCc2ccccc2)c(OC)c1
InChIInChI=1S/C27H30N2O4/c1-31-17-8-16-29-26(28-23-12-7-6-11-22(23)27(29)30)21-13-14-24(25(19-21)32-2)33-18-15-20-9-4-3-5-10-20/h3-7,9-14,19,26,28H,8,15-18H2,1-2H3
InChIKeyAIVWZNGMKWKLTL-UHFFFAOYSA-N
XLogP4.92
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 54779981
3-butan-2-yl-2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54779922
(2S)-2-(4-methoxy-3-propoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009105
3-(3-methoxypropyl)-2-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 54778646
2-(4-hexoxy-3-methoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 54778229
3-butyl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778948
3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778763
3-(3-methoxypropyl)-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54780303
3-(3-methoxypropyl)-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778728
N-ethyl-2-[2-methoxy-4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 9009141
3-(3-methoxypropyl)-2-(2-phenylmethoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one
CID 54780148
2-[2-(2-methoxyethoxy)naphthalen-1-yl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
CID 54778473

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(2-phenylethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-[3-methoxy-4-(2-phenylethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one (CID 54779965) is 2-[3-methoxy-4-(2-phenylethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[3-methoxy-4-(2-phenylethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-[3-methoxy-4-(2-phenylethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one is COCCCN1C(=O)c2ccccc2NC1c1ccc(OCCc2ccccc2)c(OC)c1.
What is the InChIKey of 2-[3-methoxy-4-(2-phenylethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is AIVWZNGMKWKLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4/c1-31-17-8-16-29-26(28-23-12-7-6-11-22(23)27(29)30)21-13-14-24(25(19-21)32-2)33-18-15-20-9-4-3-5-10-20/h3-7,9-14,19,26,28H,8,15-18H2,1-2H3.
What are the key properties of 2-[3-methoxy-4-(2-phenylethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one?
2-[3-methoxy-4-(2-phenylethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 446.55 g/mol, XLogP of 4.92, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(2-phenylethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54779965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).