6-ethoxy-7-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylquinazoline

C28H30N4O3 — CID 73355398

IUPAC6-ethoxy-7-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylquinazoline
SMILESCCOc1cc2c(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3)nc2cc1OC
InChIInChI=1S/C28H30N4O3/c1-4-35-26-18-23-24(19-25(26)34-3)29-27(20-8-6-5-7-9-20)30-28(23)32-16-14-31(15-17-32)21-10-12-22(33-2)13-11-21/h5-13,18-19H,4,14-17H2,1-3H3
InChIKeyDJMMEPKHPYUUFQ-UHFFFAOYSA-N
MW470.57 g/mol
LogP5.04
Rot. Bonds7

About 6-ethoxy-7-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylquinazoline

6-ethoxy-7-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylquinazoline (PubChem CID 73355398) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 6-ethoxy-7-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylquinazoline.

Molecular Properties

Compound Name6-ethoxy-7-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylquinazoline
PubChem CID73355398
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC Name6-ethoxy-7-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylquinazoline
SMILESCCOc1cc2c(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3)nc2cc1OC
InChIInChI=1S/C28H30N4O3/c1-4-35-26-18-23-24(19-25(26)34-3)29-27(20-8-6-5-7-9-20)30-28(23)32-16-14-31(15-17-32)21-10-12-22(33-2)13-11-21/h5-13,18-19H,4,14-17H2,1-3H3
InChIKeyDJMMEPKHPYUUFQ-UHFFFAOYSA-N
XLogP5.04
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)quinazoline
CID 155805514
[(3S)-1-(6,7-dimethoxy-2-phenylquinazolin-4-yl)piperidin-3-yl]methanol
CID 9311249
6,7-dimethoxy-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline
CID 22997425
2-benzyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazoline
CID 171988162
4-benzyl-1-[2-(4-bromophenyl)-6,7-dimethoxyquinazolin-4-yl]piperidin-4-ol
CID 68860270
4-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)piperazin-1-yl]benzonitrile
CID 91313177
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazoline
CID 731359
4-(6,7-dimethoxy-2-phenylquinazolin-4-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 22707703
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline
CID 22330526
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylquinazoline
CID 141288937
3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N,N-dimethylbenzamide
CID 118733925
2-[(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 20855857

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-7-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylquinazoline?
The IUPAC name of 6-ethoxy-7-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylquinazoline (CID 73355398) is 6-ethoxy-7-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylquinazoline.
What is the SMILES notation for 6-ethoxy-7-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylquinazoline?
The canonical SMILES for 6-ethoxy-7-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylquinazoline is CCOc1cc2c(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3)nc2cc1OC.
What is the InChIKey of 6-ethoxy-7-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylquinazoline?
The InChIKey is DJMMEPKHPYUUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-4-35-26-18-23-24(19-25(26)34-3)29-27(20-8-6-5-7-9-20)30-28(23)32-16-14-31(15-17-32)21-10-12-22(33-2)13-11-21/h5-13,18-19H,4,14-17H2,1-3H3.
What are the key properties of 6-ethoxy-7-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylquinazoline?
6-ethoxy-7-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylquinazoline has a molecular weight of 470.57 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-7-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylquinazoline is sourced from PubChem (CID 73355398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).