N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine

C25H32N4O3 — CID 126464042

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine
SMILESCOc1ccc2nc(N3CCC(NCCc4ccc(OC)c(OC)c4)CC3)nc(C)c2c1
InChIInChI=1S/C25H32N4O3/c1-17-21-16-20(30-2)6-7-22(21)28-25(27-17)29-13-10-19(11-14-29)26-12-9-18-5-8-23(31-3)24(15-18)32-4/h5-8,15-16,19,26H,9-14H2,1-4H3
InChIKeyIXFFCWHKAKABES-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.77
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine (PubChem CID 126464042) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine
PubChem CID126464042
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine
SMILESCOc1ccc2nc(N3CCC(NCCc4ccc(OC)c(OC)c4)CC3)nc(C)c2c1
InChIInChI=1S/C25H32N4O3/c1-17-21-16-20(30-2)6-7-22(21)28-25(27-17)29-13-10-19(11-14-29)26-12-9-18-5-8-23(31-3)24(15-18)32-4/h5-8,15-16,19,26H,9-14H2,1-4H3
InChIKeyIXFFCWHKAKABES-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-(3,4-dimethoxyphenyl)ethyl]-1-(6-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine with MolForge

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-4-amine
CID 42214131
N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine
CID 118755161
1-(4,7-dimethylquinazolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]azepan-4-amine
CID 45237768
1-(6-methoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 126465178
1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-thiophen-2-ylethyl)piperidin-4-amine
CID 126464393
1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-phenylpropyl)piperidin-4-amine
CID 45192252
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-methylquinolin-2-amine
CID 31196496
(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
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(3-pyridin-3-ylpropyl)azepan-4-amine
CID 45196940
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112910903
N-[2-(3,4-dimethoxyphenyl)ethyl]oxan-4-amine
CID 43608339

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine (CID 126464042) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine is COc1ccc2nc(N3CCC(NCCc4ccc(OC)c(OC)c4)CC3)nc(C)c2c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine?
The InChIKey is IXFFCWHKAKABES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-17-21-16-20(30-2)6-7-22(21)28-25(27-17)29-13-10-19(11-14-29)26-12-9-18-5-8-23(31-3)24(15-18)32-4/h5-8,15-16,19,26H,9-14H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-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-(3,4-dimethoxyphenyl)ethyl]-1-(6-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine is sourced from PubChem (CID 126464042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).