2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride

C19H21Cl2N3O5 — CID 45262047

IUPAC2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride
SMILESCOc1cc2nc(Cl)nc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC.Cl
InChIInChI=1S/C19H20ClN3O5.ClH/c1-24-13-8-11-12(9-14(13)25-2)22-19(20)23-18(11)21-10-6-15(26-3)17(28-5)16(7-10)27-4;/h6-9H,1-5H3,(H,21,22,23);1H
InChIKeyCIXGFIGFKIGPAP-UHFFFAOYSA-N
MW442.30 g/mol
LogP4.49
Rot. Bonds7

About 2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride

2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride (PubChem CID 45262047) has the molecular formula C19H21Cl2N3O5 and a molecular weight of 442.30 g/mol. Its IUPAC name is 2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride
PubChem CID45262047
Molecular FormulaC19H21Cl2N3O5
Molecular Weight442.30 g/mol
Exact Mass441.09
IUPAC Name2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride
SMILESCOc1cc2nc(Cl)nc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC.Cl
InChIInChI=1S/C19H20ClN3O5.ClH/c1-24-13-8-11-12(9-14(13)25-2)22-19(20)23-18(11)21-10-6-15(26-3)17(28-5)16(7-10)27-4;/h6-9H,1-5H3,(H,21,22,23);1H
InChIKeyCIXGFIGFKIGPAP-UHFFFAOYSA-N
XLogP4.49
TPSA83.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.30
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-chloro-N-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22692700
4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine
CID 22693012
N-(4-tert-butylphenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22693257
4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzonitrile
CID 169095838
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine
CID 22692861
2-(3-aminophenyl)-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
CID 117092365
3-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzonitrile
CID 22693255
2-chloro-N-(2-chloro-4,6-dimethylphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22692713
2-chloro-6,7-dimethoxy-N-pyridin-2-ylquinazolin-4-amine
CID 22692875
2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 22693013
2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methylphenol
CID 22692956
6,7-dimethoxy-2-N-quinolin-6-yl-4-N-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine
CID 117085172

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride?
The IUPAC name of 2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride (CID 45262047) is 2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride.
What is the SMILES notation for 2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride?
The canonical SMILES for 2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride is COc1cc2nc(Cl)nc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC.Cl.
What is the InChIKey of 2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride?
The InChIKey is CIXGFIGFKIGPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O5.ClH/c1-24-13-8-11-12(9-14(13)25-2)22-19(20)23-18(11)21-10-6-15(26-3)17(28-5)16(7-10)27-4;/h6-9H,1-5H3,(H,21,22,23);1H.
What are the key properties of 2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride?
2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride has a molecular weight of 442.30 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 45262047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).