2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-phenoxy-4-piperidin-1-ylquinazoline

C29H31N3O4 — CID 143340904

IUPAC2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-phenoxy-4-piperidin-1-ylquinazoline
SMILESCOc1ccc(CCOc2nc(N3CCCCC3)c3cc(Oc4ccccc4)ccc3n2)cc1OC
InChIInChI=1S/C29H31N3O4/c1-33-26-14-11-21(19-27(26)34-2)15-18-35-29-30-25-13-12-23(36-22-9-5-3-6-10-22)20-24(25)28(31-29)32-16-7-4-8-17-32/h3,5-6,9-14,19-20H,4,7-8,15-18H2,1-2H3
InChIKeyDLRDUUUCXINRMI-UHFFFAOYSA-N
MW485.58 g/mol
LogP6.05
Rot. Bonds9

About 2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-phenoxy-4-piperidin-1-ylquinazoline

2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-phenoxy-4-piperidin-1-ylquinazoline (PubChem CID 143340904) has the molecular formula C29H31N3O4 and a molecular weight of 485.58 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-phenoxy-4-piperidin-1-ylquinazoline.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-phenoxy-4-piperidin-1-ylquinazoline
PubChem CID143340904
Molecular FormulaC29H31N3O4
Molecular Weight485.58 g/mol
Exact Mass485.23
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-phenoxy-4-piperidin-1-ylquinazoline
SMILESCOc1ccc(CCOc2nc(N3CCCCC3)c3cc(Oc4ccccc4)ccc3n2)cc1OC
InChIInChI=1S/C29H31N3O4/c1-33-26-14-11-21(19-27(26)34-2)15-18-35-29-30-25-13-12-23(36-22-9-5-3-6-10-22)20-24(25)28(31-29)32-16-7-4-8-17-32/h3,5-6,9-14,19-20H,4,7-8,15-18H2,1-2H3
InChIKeyDLRDUUUCXINRMI-UHFFFAOYSA-N
XLogP6.05
TPSA65.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.58
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-phenoxy-4-piperidin-1-ylquinazoline with MolForge

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Related Compounds

4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(4-methoxyphenyl)quinazolin-4-yl]morpholine
CID 11477585
2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3-methyl-5-propan-2-ylphenyl)-4-piperidin-1-ylquinazoline
CID 70989231
4-[2-[2-(2,3-dimethoxyphenyl)ethoxy]-6-(4-methylphenoxy)quinazolin-4-yl]morpholine
CID 91424946
3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide
CID 11214463
ethane;4-[2-[2-(3-ethyl-4-methoxyphenyl)ethoxy]-6-(4-methylphenyl)quinazolin-4-yl]morpholine
CID 143533323
1,2-dimethoxy-4-[2-[3-[3-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172871209
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)pyrimidine
CID 58336464
3-[3-[2-(3,4-dimethoxyphenyl)ethoxy]phenyl]benzoic acid
CID 66858506
4-(azepan-1-yl)-6-methoxyquinazoline
CID 21002922
2-(3,4-dimethoxyphenyl)ethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-2-carboxylate
CID 44764644
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)butanediamide
CID 22427695
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxyquinoline;hydrochloride
CID 16637848

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-phenoxy-4-piperidin-1-ylquinazoline?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-phenoxy-4-piperidin-1-ylquinazoline (CID 143340904) is 2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-phenoxy-4-piperidin-1-ylquinazoline.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-phenoxy-4-piperidin-1-ylquinazoline?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-phenoxy-4-piperidin-1-ylquinazoline is COc1ccc(CCOc2nc(N3CCCCC3)c3cc(Oc4ccccc4)ccc3n2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-phenoxy-4-piperidin-1-ylquinazoline?
The InChIKey is DLRDUUUCXINRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O4/c1-33-26-14-11-21(19-27(26)34-2)15-18-35-29-30-25-13-12-23(36-22-9-5-3-6-10-22)20-24(25)28(31-29)32-16-7-4-8-17-32/h3,5-6,9-14,19-20H,4,7-8,15-18H2,1-2H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-phenoxy-4-piperidin-1-ylquinazoline?
2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-phenoxy-4-piperidin-1-ylquinazoline has a molecular weight of 485.58 g/mol, XLogP of 6.05, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-phenoxy-4-piperidin-1-ylquinazoline is sourced from PubChem (CID 143340904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).