N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]quinazolin-4-amine

C26H29N5O2 — CID 126465938

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]quinazolin-4-amine
SMILESCOc1ccc(CN(C)c2nc(CN(C)Cc3ccccn3)nc3ccccc23)cc1OC
InChIInChI=1S/C26H29N5O2/c1-30(17-20-9-7-8-14-27-20)18-25-28-22-11-6-5-10-21(22)26(29-25)31(2)16-19-12-13-23(32-3)24(15-19)33-4/h5-15H,16-18H2,1-4H3
InChIKeyCGDJHVNACQOBER-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.31
Rot. Bonds9

About N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]quinazolin-4-amine

N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]quinazolin-4-amine (PubChem CID 126465938) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]quinazolin-4-amine
PubChem CID126465938
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]quinazolin-4-amine
SMILESCOc1ccc(CN(C)c2nc(CN(C)Cc3ccccn3)nc3ccccc23)cc1OC
InChIInChI=1S/C26H29N5O2/c1-30(17-20-9-7-8-14-27-20)18-25-28-22-11-6-5-10-21(22)26(29-25)31(2)16-19-12-13-23(32-3)24(15-19)33-4/h5-15H,16-18H2,1-4H3
InChIKeyCGDJHVNACQOBER-UHFFFAOYSA-N
XLogP4.31
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]quinazolin-4-amine with MolForge

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Related Compounds

ethyl 4-[[4-[(3,4-dimethoxyphenyl)methyl-methylamino]quinazolin-2-yl]methyl]piperazine-1-carboxylate
CID 25293677
ethyl (2S)-1-[[4-[(3,4-dimethoxyphenyl)methyl-methylamino]quinazolin-2-yl]methyl]piperidine-2-carboxylate
CID 29084724
N-methyl-1-naphthalen-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 171327866
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 42165859
6-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
CID 8845028
N'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylethane-1,2-diamine
CID 110194315
N-[(4-bromo-3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylquinazolin-4-amine
CID 166336127
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 16555071
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
1-(4-ethylpiperazin-1-yl)-3-[2-methoxy-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenoxy]propan-2-ol
CID 45200927
(2S)-1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenoxy]propan-2-ol
CID 42530651

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]quinazolin-4-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]quinazolin-4-amine (CID 126465938) is N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]quinazolin-4-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]quinazolin-4-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]quinazolin-4-amine is COc1ccc(CN(C)c2nc(CN(C)Cc3ccccn3)nc3ccccc23)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]quinazolin-4-amine?
The InChIKey is CGDJHVNACQOBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-30(17-20-9-7-8-14-27-20)18-25-28-22-11-6-5-10-21(22)26(29-25)31(2)16-19-12-13-23(32-3)24(15-19)33-4/h5-15H,16-18H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]quinazolin-4-amine?
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]quinazolin-4-amine has a molecular weight of 443.55 g/mol, XLogP of 4.31, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]quinazolin-4-amine is sourced from PubChem (CID 126465938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).