N-(4-tert-butylphenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine

C20H22ClN3O2 — CID 22693257

IUPACN-(4-tert-butylphenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(Cl)nc(Nc3ccc(C(C)(C)C)cc3)c2cc1OC
InChIInChI=1S/C20H22ClN3O2/c1-20(2,3)12-6-8-13(9-7-12)22-18-14-10-16(25-4)17(26-5)11-15(14)23-19(21)24-18/h6-11H,1-5H3,(H,22,23,24)
InChIKeyXPPYUGCNODFDJD-UHFFFAOYSA-N
MW371.87 g/mol
LogP5.34
Rot. Bonds4

About N-(4-tert-butylphenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine

N-(4-tert-butylphenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine (PubChem CID 22693257) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine
PubChem CID22693257
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC NameN-(4-tert-butylphenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(Cl)nc(Nc3ccc(C(C)(C)C)cc3)c2cc1OC
InChIInChI=1S/C20H22ClN3O2/c1-20(2,3)12-6-8-13(9-7-12)22-18-14-10-16(25-4)17(26-5)11-15(14)23-19(21)24-18/h6-11H,1-5H3,(H,22,23,24)
InChIKeyXPPYUGCNODFDJD-UHFFFAOYSA-N
XLogP5.34
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.87
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzonitrile
CID 169095838
2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 45262047
2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 22693013
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine
CID 22692861
2-chloro-6,7-dimethoxy-N-pyridin-2-ylquinazolin-4-amine
CID 22692875
3-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzonitrile
CID 22693255
2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine
CID 85473005
N-(4-tert-butylphenyl)-8,9-dimethoxybenzo[c][1,8]naphthyridin-6-amine
CID 58168204
6,7-dimethoxy-2-N,4-N-bis(4-methylphenyl)quinazoline-2,4-diamine;hydrochloride
CID 44532601
2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-methylphenol
CID 22692956

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of N-(4-tert-butylphenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine (CID 22693257) is N-(4-tert-butylphenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine is COc1cc2nc(Cl)nc(Nc3ccc(C(C)(C)C)cc3)c2cc1OC.
What is the InChIKey of N-(4-tert-butylphenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is XPPYUGCNODFDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-20(2,3)12-6-8-13(9-7-12)22-18-14-10-16(25-4)17(26-5)11-15(14)23-19(21)24-18/h6-11H,1-5H3,(H,22,23,24).
What are the key properties of N-(4-tert-butylphenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine?
N-(4-tert-butylphenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 371.87 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 22693257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).