6,7-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine

C17H18N4O2 — CID 171702605

IUPAC6,7-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine
SMILESCOc1cc2ncnc(N(C)Cc3ccncc3)c2cc1OC
InChIInChI=1S/C17H18N4O2/c1-21(10-12-4-6-18-7-5-12)17-13-8-15(22-2)16(23-3)9-14(13)19-11-20-17/h4-9,11H,10H2,1-3H3
InChIKeyPNRKXLZBSFRMGI-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.68
Rot. Bonds5

About 6,7-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine

6,7-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine (PubChem CID 171702605) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 6,7-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine
PubChem CID171702605
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name6,7-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine
SMILESCOc1cc2ncnc(N(C)Cc3ccncc3)c2cc1OC
InChIInChI=1S/C17H18N4O2/c1-21(10-12-4-6-18-7-5-12)17-13-8-15(22-2)16(23-3)9-14(13)19-11-20-17/h4-9,11H,10H2,1-3H3
InChIKeyPNRKXLZBSFRMGI-UHFFFAOYSA-N
XLogP2.68
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-fluoro-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 171691676
N'-[(3,4-dimethoxyphenyl)methyl]-N'-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylethane-1,2-diamine
CID 110194317
6,7-diethoxy-N-ethyl-N-methylquinazolin-4-amine chloride
CID 160550418
N'-(7-fluoro-6-methoxyquinazolin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 133492287
6-[3-(dimethylamino)propoxy]-N,N-difluoro-7-methoxyquinazolin-4-amine
CID 87867120
3-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]phenol
CID 127034132
1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]ethyl]phenyl]-3-phenylurea
CID 59268644
6,7-dimethoxy-4-[(3-pyridin-4-ylphenyl)methyl]quinazoline
CID 176664908
6-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine
CID 112507739
N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 154730251
6,7-bis(2-methoxyethoxy)-N,N-dimethylquinazolin-4-amine
CID 149497994
4-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]benzoic acid
CID 82123949

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine (CID 171702605) is 6,7-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine is COc1cc2ncnc(N(C)Cc3ccncc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine?
The InChIKey is PNRKXLZBSFRMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-21(10-12-4-6-18-7-5-12)17-13-8-15(22-2)16(23-3)9-14(13)19-11-20-17/h4-9,11H,10H2,1-3H3.
What are the key properties of 6,7-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine?
6,7-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine has a molecular weight of 310.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 171702605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).