[3-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone

C28H28N4O3 — CID 155567372

IUPAC[3-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2ccc3ncnc(-c4cccc(C(=O)N5CCN(C)CC5)c4)c3c2)cc1OC
InChIInChI=1S/C28H28N4O3/c1-31-11-13-32(14-12-31)28(33)22-6-4-5-21(15-22)27-23-16-19(7-9-24(23)29-18-30-27)20-8-10-25(34-2)26(17-20)35-3/h4-10,15-18H,11-14H2,1-3H3
InChIKeyIPRGWYNVQSWAJM-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.37
Rot. Bonds5

About [3-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone

[3-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 155567372) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is [3-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID155567372
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC Name[3-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2ccc3ncnc(-c4cccc(C(=O)N5CCN(C)CC5)c4)c3c2)cc1OC
InChIInChI=1S/C28H28N4O3/c1-31-11-13-32(14-12-31)28(33)22-6-4-5-21(15-22)27-23-16-19(7-9-24(23)29-18-30-27)20-8-10-25(34-2)26(17-20)35-3/h4-10,15-18H,11-14H2,1-3H3
InChIKeyIPRGWYNVQSWAJM-UHFFFAOYSA-N
XLogP4.37
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4aS,8aR)-2-[1-(2-aminoquinazolin-4-yl)piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one
CID 137700768
5-{4-[3-(4-Acetylpiperazine-1-Carbonyl)phenyl]quinazolin-6-Yl}-2-Methoxypyridine-3-Carbonitrile
CID 86732669
[4-(6,7-Dimethoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethyloxy)phenyl]methanone
CID 137333966
7-(3,4-Dimethoxyphenyl)-2-(4-ethylpiperazinyl)-6,7,8-trihydroquinazolin-5-one
CID 667302
2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 4147575
N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-3-[(dimethylamino)methyl]-N-methylbenzamide
CID 10097792
[4-(4-Amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl](phenyl)methanone
CID 14069001
[(4aR,8aS)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-phenylmethanone
CID 44428851
(4aS,8aR)-4-(3,4-dimethoxyphenyl)-2-(1-quinazolin-4-ylpiperidin-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 155567701
N-[4-methyl-3-[[4-(methylamino)quinazolin-8-yl]methylamino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 46945256
N-(2-methoxyethyl)-4-[[6-(3-methoxy-4-pyridinyl)quinazolin-2-yl]amino]benzamide
CID 71584401
2-(2,5-Dimethoxyphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl]quinoline
CID 3237504

Frequently Asked Questions

What is the IUPAC name of [3-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [3-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone (CID 155567372) is [3-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [3-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone is COc1ccc(-c2ccc3ncnc(-c4cccc(C(=O)N5CCN(C)CC5)c4)c3c2)cc1OC.
What is the InChIKey of [3-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is IPRGWYNVQSWAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-31-11-13-32(14-12-31)28(33)22-6-4-5-21(15-22)27-23-16-19(7-9-24(23)29-18-30-27)20-8-10-25(34-2)26(17-20)35-3/h4-10,15-18H,11-14H2,1-3H3.
What are the key properties of [3-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
[3-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 468.56 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 155567372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).