[4-[(E)-2-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)ethenyl]phenyl]methanol

C24H27N3O3 — CID 139921676

IUPAC[4-[(E)-2-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)ethenyl]phenyl]methanol
SMILESCOc1cc2nc(/C=C/c3ccc(CO)cc3)nc(N3CCCCC3)c2cc1OC
InChIInChI=1S/C24H27N3O3/c1-29-21-14-19-20(15-22(21)30-2)25-23(26-24(19)27-12-4-3-5-13-27)11-10-17-6-8-18(16-28)9-7-17/h6-11,14-15,28H,3-5,12-13,16H2,1-2H3/b11-10+
InChIKeyQDVMJYNOCBEIIG-ZHACJKMWSA-N
MW405.50 g/mol
LogP4.30
Rot. Bonds6

About [4-[(E)-2-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)ethenyl]phenyl]methanol

[4-[(E)-2-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)ethenyl]phenyl]methanol (PubChem CID 139921676) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is [4-[(E)-2-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)ethenyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(E)-2-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)ethenyl]phenyl]methanol
PubChem CID139921676
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name[4-[(E)-2-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)ethenyl]phenyl]methanol
SMILESCOc1cc2nc(/C=C/c3ccc(CO)cc3)nc(N3CCCCC3)c2cc1OC
InChIInChI=1S/C24H27N3O3/c1-29-21-14-19-20(15-22(21)30-2)25-23(26-24(19)27-12-4-3-5-13-27)11-10-17-6-8-18(16-28)9-7-17/h6-11,14-15,28H,3-5,12-13,16H2,1-2H3/b11-10+
InChIKeyQDVMJYNOCBEIIG-ZHACJKMWSA-N
XLogP4.30
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[(E)-2-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)ethenyl]phenyl]methanol with MolForge

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Related Compounds

4-(azepan-1-yl)-7-ethyl-2-[(E)-prop-1-enyl]quinazoline
CID 143244835
2-cyclohexyl-6,7-dimethoxy-4-piperidin-1-ylquinazoline
CID 134111359
6,7-dimethoxy-4-piperidin-1-yl-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride
CID 68781324
6,7-dimethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylquinazoline
CID 137380754
4-chloro-6,7-dimethoxy-2-[(E)-2-phenylethenyl]quinazoline
CID 139921672
N-[1-[(3,4-diethoxyphenyl)methyl]piperidin-4-yl]-6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-amine;6,7-dimethoxy-4-piperidin-1-yl-N-piperidin-4-ylquinazolin-2-amine
CID 87638678
6-methoxy-4-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine
CID 177382773
2-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethanol
CID 175341793
N'-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-(3-methylphenyl)methanimidamide
CID 143341760
2-[2-[4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-yl]ethenyl]-4-(4-methylpiperazin-1-yl)quinazoline
CID 67306694
2-benzyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
CID 53245615
N'-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-(3-methylphenyl)methanimidamide;ethane
CID 143341759

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)ethenyl]phenyl]methanol?
The IUPAC name of [4-[(E)-2-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)ethenyl]phenyl]methanol (CID 139921676) is [4-[(E)-2-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)ethenyl]phenyl]methanol.
What is the SMILES notation for [4-[(E)-2-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)ethenyl]phenyl]methanol?
The canonical SMILES for [4-[(E)-2-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)ethenyl]phenyl]methanol is COc1cc2nc(/C=C/c3ccc(CO)cc3)nc(N3CCCCC3)c2cc1OC.
What is the InChIKey of [4-[(E)-2-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)ethenyl]phenyl]methanol?
The InChIKey is QDVMJYNOCBEIIG-ZHACJKMWSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-29-21-14-19-20(15-22(21)30-2)25-23(26-24(19)27-12-4-3-5-13-27)11-10-17-6-8-18(16-28)9-7-17/h6-11,14-15,28H,3-5,12-13,16H2,1-2H3/b11-10+.
What are the key properties of [4-[(E)-2-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)ethenyl]phenyl]methanol?
[4-[(E)-2-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)ethenyl]phenyl]methanol has a molecular weight of 405.50 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)ethenyl]phenyl]methanol is sourced from PubChem (CID 139921676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).