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

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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).