6,7-dimethoxy-2-N-quinolin-6-yl-4-N-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine

C28H27N5O5 — CID 117085172

IUPAC6,7-dimethoxy-2-N-quinolin-6-yl-4-N-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine
SMILESCOc1cc2nc(Nc3ccc4ncccc4c3)nc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
InChIInChI=1S/C28H27N5O5/c1-34-22-14-19-21(15-23(22)35-2)32-28(31-17-8-9-20-16(11-17)7-6-10-29-20)33-27(19)30-18-12-24(36-3)26(38-5)25(13-18)37-4/h6-15H,1-5H3,(H2,30,31,32,33)
InChIKeyNRIWIRUHMSOVHR-UHFFFAOYSA-N
MW513.55 g/mol
LogP5.71
Rot. Bonds9

About 6,7-dimethoxy-2-N-quinolin-6-yl-4-N-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine

6,7-dimethoxy-2-N-quinolin-6-yl-4-N-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine (PubChem CID 117085172) has the molecular formula C28H27N5O5 and a molecular weight of 513.55 g/mol. Its IUPAC name is 6,7-dimethoxy-2-N-quinolin-6-yl-4-N-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name6,7-dimethoxy-2-N-quinolin-6-yl-4-N-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine
PubChem CID117085172
Molecular FormulaC28H27N5O5
Molecular Weight513.55 g/mol
Exact Mass513.20
IUPAC Name6,7-dimethoxy-2-N-quinolin-6-yl-4-N-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine
SMILESCOc1cc2nc(Nc3ccc4ncccc4c3)nc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
InChIInChI=1S/C28H27N5O5/c1-34-22-14-19-21(15-23(22)35-2)32-28(31-17-8-9-20-16(11-17)7-6-10-29-20)33-27(19)30-18-12-24(36-3)26(38-5)25(13-18)37-4/h6-15H,1-5H3,(H2,30,31,32,33)
InChIKeyNRIWIRUHMSOVHR-UHFFFAOYSA-N
XLogP5.71
TPSA108.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.55
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6,7-dimethoxy-2-N-quinolin-6-yl-4-N-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine with MolForge

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Related Compounds

9-phenyl-2-N-quinolin-6-yl-6-N-(3,4,5-trimethoxyphenyl)purine-2,6-diamine
CID 117080400
6,7-dimethoxy-4-N-phenyl-2-N-pyrimidin-2-ylquinazoline-2,4-diamine
CID 117087219
6,7-dimethoxy-2-N,4-N-bis(4-methylphenyl)quinazoline-2,4-diamine;hydrochloride
CID 44532601
2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine
CID 10133924
2-N-[3-(dimethylamino)phenyl]-6,7-dimethoxy-4-N-phenylquinazoline-2,4-diamine
CID 117091404
2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 45262047
2-(3-aminophenyl)-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
CID 117092365
4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 59066353
6-methoxy-2-pyridin-3-yl-N-quinolin-6-ylquinazolin-4-amine
CID 71274406
1-[4-[7-methoxy-4-(quinolin-6-ylamino)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 167487866
6-methoxy-2-N-quinolin-6-ylpyridine-2,3-diamine
CID 115320727
6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinoline
CID 10426212

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-N-quinolin-6-yl-4-N-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine?
The IUPAC name of 6,7-dimethoxy-2-N-quinolin-6-yl-4-N-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine (CID 117085172) is 6,7-dimethoxy-2-N-quinolin-6-yl-4-N-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 6,7-dimethoxy-2-N-quinolin-6-yl-4-N-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 6,7-dimethoxy-2-N-quinolin-6-yl-4-N-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine is COc1cc2nc(Nc3ccc4ncccc4c3)nc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-N-quinolin-6-yl-4-N-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine?
The InChIKey is NRIWIRUHMSOVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O5/c1-34-22-14-19-21(15-23(22)35-2)32-28(31-17-8-9-20-16(11-17)7-6-10-29-20)33-27(19)30-18-12-24(36-3)26(38-5)25(13-18)37-4/h6-15H,1-5H3,(H2,30,31,32,33).
What are the key properties of 6,7-dimethoxy-2-N-quinolin-6-yl-4-N-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine?
6,7-dimethoxy-2-N-quinolin-6-yl-4-N-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine has a molecular weight of 513.55 g/mol, XLogP of 5.71, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-N-quinolin-6-yl-4-N-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 117085172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).