N-[(2,3-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine

C25H32N4O2 — CID 126466428

IUPACN-[(2,3-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine
SMILESCOc1cccc(CNC2CCN(c3nc(C)c4cc(C)c(C)cc4n3)CC2)c1OC
InChIInChI=1S/C25H32N4O2/c1-16-13-21-18(3)27-25(28-22(21)14-17(16)2)29-11-9-20(10-12-29)26-15-19-7-6-8-23(30-4)24(19)31-5/h6-8,13-14,20,26H,9-12,15H2,1-5H3
InChIKeyYBENGQSAYXTRRI-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.33
Rot. Bonds6

About N-[(2,3-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine

N-[(2,3-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine (PubChem CID 126466428) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine
PubChem CID126466428
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine
SMILESCOc1cccc(CNC2CCN(c3nc(C)c4cc(C)c(C)cc4n3)CC2)c1OC
InChIInChI=1S/C25H32N4O2/c1-16-13-21-18(3)27-25(28-22(21)14-17(16)2)29-11-9-20(10-12-29)26-15-19-7-6-8-23(30-4)24(19)31-5/h6-8,13-14,20,26H,9-12,15H2,1-5H3
InChIKeyYBENGQSAYXTRRI-UHFFFAOYSA-N
XLogP4.33
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2,3-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine with MolForge

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Related Compounds

N-[(2,6-dimethoxyphenyl)methyl]-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-amine
CID 45242627
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
N-[(2,3-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine
CID 28718160
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
1-(6-methoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 126465178
N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine
CID 118755161
(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carboxamide
CID 42275679
1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(naphthalen-1-ylmethyl)azepan-4-amine
CID 45171650
N-[(2,3-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 47045756
N-[(2,3-dimethoxyphenyl)methyl]thian-4-amine
CID 115584763
N-[(2,4-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide
CID 118754590
N-[(2,3-dimethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 47052476

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine (CID 126466428) is N-[(2,3-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine is COc1cccc(CNC2CCN(c3nc(C)c4cc(C)c(C)cc4n3)CC2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine?
The InChIKey is YBENGQSAYXTRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-16-13-21-18(3)27-25(28-22(21)14-17(16)2)29-11-9-20(10-12-29)26-15-19-7-6-8-23(30-4)24(19)31-5/h6-8,13-14,20,26H,9-12,15H2,1-5H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine?
N-[(2,3-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine has a molecular weight of 420.56 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine is sourced from PubChem (CID 126466428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).