6,7-dimethoxy-2-N-[1-(3-methoxyphenyl)piperidin-4-yl]quinazoline-2,4-diamine

C22H27N5O3 — CID 166201680

IUPAC6,7-dimethoxy-2-N-[1-(3-methoxyphenyl)piperidin-4-yl]quinazoline-2,4-diamine
SMILESCOc1cccc(N2CCC(Nc3nc(N)c4cc(OC)c(OC)cc4n3)CC2)c1
InChIInChI=1S/C22H27N5O3/c1-28-16-6-4-5-15(11-16)27-9-7-14(8-10-27)24-22-25-18-13-20(30-3)19(29-2)12-17(18)21(23)26-22/h4-6,11-14H,7-10H2,1-3H3,(H3,23,24,25,26)
InChIKeyQJZSRNOVWOIIOJ-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.32
Rot. Bonds6

About 6,7-dimethoxy-2-N-[1-(3-methoxyphenyl)piperidin-4-yl]quinazoline-2,4-diamine

6,7-dimethoxy-2-N-[1-(3-methoxyphenyl)piperidin-4-yl]quinazoline-2,4-diamine (PubChem CID 166201680) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 6,7-dimethoxy-2-N-[1-(3-methoxyphenyl)piperidin-4-yl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name6,7-dimethoxy-2-N-[1-(3-methoxyphenyl)piperidin-4-yl]quinazoline-2,4-diamine
PubChem CID166201680
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name6,7-dimethoxy-2-N-[1-(3-methoxyphenyl)piperidin-4-yl]quinazoline-2,4-diamine
SMILESCOc1cccc(N2CCC(Nc3nc(N)c4cc(OC)c(OC)cc4n3)CC2)c1
InChIInChI=1S/C22H27N5O3/c1-28-16-6-4-5-15(11-16)27-9-7-14(8-10-27)24-22-25-18-13-20(30-3)19(29-2)12-17(18)21(23)26-22/h4-6,11-14H,7-10H2,1-3H3,(H3,23,24,25,26)
InChIKeyQJZSRNOVWOIIOJ-UHFFFAOYSA-N
XLogP3.32
TPSA94.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6,7-dimethoxy-2-N-[1-(3-methoxyphenyl)piperidin-4-yl]quinazoline-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]piperidin-1-yl]-cyclohexylmethanone
CID 56557141
2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 44532808
2-N-(dicyclopropylmethyl)-6,7-dimethoxyquinazoline-2,4-diamine
CID 133333792
6,7-dimethoxy-2-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinazoline-2,4-diamine
CID 131963482
N-[1-(3-chlorophenyl)piperidin-4-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 153164660
2-(4-cyclopropylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 133299285
2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 3031652
6,7-dimethoxy-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine
CID 21416702
6,7-dimethoxy-2-(3-phenylpyrrolidin-1-yl)quinazolin-4-amine
CID 133299996
2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine
CID 134117178
6,7-dimethoxy-2-N-[1-(4-methoxyphenyl)ethyl]quinazoline-2,4-diamine
CID 44523304
2-(4-ethylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 166201599

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-N-[1-(3-methoxyphenyl)piperidin-4-yl]quinazoline-2,4-diamine?
The IUPAC name of 6,7-dimethoxy-2-N-[1-(3-methoxyphenyl)piperidin-4-yl]quinazoline-2,4-diamine (CID 166201680) is 6,7-dimethoxy-2-N-[1-(3-methoxyphenyl)piperidin-4-yl]quinazoline-2,4-diamine.
What is the SMILES notation for 6,7-dimethoxy-2-N-[1-(3-methoxyphenyl)piperidin-4-yl]quinazoline-2,4-diamine?
The canonical SMILES for 6,7-dimethoxy-2-N-[1-(3-methoxyphenyl)piperidin-4-yl]quinazoline-2,4-diamine is COc1cccc(N2CCC(Nc3nc(N)c4cc(OC)c(OC)cc4n3)CC2)c1.
What is the InChIKey of 6,7-dimethoxy-2-N-[1-(3-methoxyphenyl)piperidin-4-yl]quinazoline-2,4-diamine?
The InChIKey is QJZSRNOVWOIIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-28-16-6-4-5-15(11-16)27-9-7-14(8-10-27)24-22-25-18-13-20(30-3)19(29-2)12-17(18)21(23)26-22/h4-6,11-14H,7-10H2,1-3H3,(H3,23,24,25,26).
What are the key properties of 6,7-dimethoxy-2-N-[1-(3-methoxyphenyl)piperidin-4-yl]quinazoline-2,4-diamine?
6,7-dimethoxy-2-N-[1-(3-methoxyphenyl)piperidin-4-yl]quinazoline-2,4-diamine has a molecular weight of 409.49 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-N-[1-(3-methoxyphenyl)piperidin-4-yl]quinazoline-2,4-diamine is sourced from PubChem (CID 166201680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).