N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine

C25H32N4O3 — CID 118755161

IUPACN-[2-(2,4-dimethoxyphenyl)ethyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine
SMILESCOc1ccc(CCNC2CCN(c3nc(C)c4ccc(OC)cc4n3)CC2)c(OC)c1
InChIInChI=1S/C25H32N4O3/c1-17-22-8-7-20(30-2)15-23(22)28-25(27-17)29-13-10-19(11-14-29)26-12-9-18-5-6-21(31-3)16-24(18)32-4/h5-8,15-16,19,26H,9-14H2,1-4H3
InChIKeyMKOSQRWKMXFIRM-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.77
Rot. Bonds8

About N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine

N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine (PubChem CID 118755161) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,4-dimethoxyphenyl)ethyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine
PubChem CID118755161
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN-[2-(2,4-dimethoxyphenyl)ethyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine
SMILESCOc1ccc(CCNC2CCN(c3nc(C)c4ccc(OC)cc4n3)CC2)c(OC)c1
InChIInChI=1S/C25H32N4O3/c1-17-22-8-7-20(30-2)15-23(22)28-25(27-17)29-13-10-19(11-14-29)26-12-9-18-5-6-21(31-3)16-24(18)32-4/h5-8,15-16,19,26H,9-14H2,1-4H3
InChIKeyMKOSQRWKMXFIRM-UHFFFAOYSA-N
XLogP3.77
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine 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

1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-thiophen-2-ylethyl)piperidin-4-amine
CID 126464393
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine
CID 126464042
1-(4,7-dimethylquinazolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]azepan-4-amine
CID 45237768
N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine
CID 62801628
1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-phenylpropyl)piperidin-4-amine
CID 45192252
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-4-amine
CID 42214131
N-[(2,4-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide
CID 118754590
1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid
CID 118759012
N-[(2,3-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine
CID 126466428
1-(6-methoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 126465178
(4R)-1-(4,7-dimethylquinazolin-2-yl)-N-(2-phenylethyl)azepan-4-amine
CID 26344248
1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(2-naphthalen-2-ylethyl)piperidin-4-amine
CID 42455266

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine?
The IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine (CID 118755161) is N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine.
What is the SMILES notation for N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine?
The canonical SMILES for N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine is COc1ccc(CCNC2CCN(c3nc(C)c4ccc(OC)cc4n3)CC2)c(OC)c1.
What is the InChIKey of N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine?
The InChIKey is MKOSQRWKMXFIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-17-22-8-7-20(30-2)15-23(22)28-25(27-17)29-13-10-19(11-14-29)26-12-9-18-5-6-21(31-3)16-24(18)32-4/h5-8,15-16,19,26H,9-14H2,1-4H3.
What are the key properties of N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine?
N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine has a molecular weight of 436.56 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine is sourced from PubChem (CID 118755161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).