7-(5-chloro-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine

C17H17ClN4O — CID 56659281

IUPAC7-(5-chloro-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine
SMILESCCOc1ccc(Cl)cc1-c1cc2nc(N)nc(N)c2cc1C
InChIInChI=1S/C17H17ClN4O/c1-3-23-15-5-4-10(18)7-12(15)11-8-14-13(6-9(11)2)16(19)22-17(20)21-14/h4-8H,3H2,1-2H3,(H4,19,20,21,22)
InChIKeyCDDUFXDZAGJSTL-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.82
Rot. Bonds3

About 7-(5-chloro-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine

7-(5-chloro-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine (PubChem CID 56659281) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 7-(5-chloro-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name7-(5-chloro-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine
PubChem CID56659281
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name7-(5-chloro-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine
SMILESCCOc1ccc(Cl)cc1-c1cc2nc(N)nc(N)c2cc1C
InChIInChI=1S/C17H17ClN4O/c1-3-23-15-5-4-10(18)7-12(15)11-8-14-13(6-9(11)2)16(19)22-17(20)21-14/h4-8H,3H2,1-2H3,(H4,19,20,21,22)
InChIKeyCDDUFXDZAGJSTL-UHFFFAOYSA-N
XLogP3.82
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2-Methoxyphenyl)quinazoline-2,4-Diamine
CID 53346505
3-(2,4-Diamino-6-Methylquinazolin-7-Yl)-4-Ethoxybenzaldehyde
CID 53346508
N-[3'-(2,4-Diaminoquinazolin-7-Yl)-4'-Ethoxybiphenyl-3-Yl]methanesulfonamide
CID 53346510
7-(2-Ethoxynaphthalen-1-Yl)-6-Methylquinazoline-2,4-Diamine
CID 53346511
5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine
CID 24778299
7-(5-Bromo-2-Ethoxyphenyl)-6-Methylquinazoline-2,4-Diamine
CID 53346509
5-[(4-Methylbenzyl)oxy]quinazoline-2,4-diamine
CID 2824489
5-[(2-Chlorophenoxy)methyl]quinazoline-2,4-diamine
CID 11666585
5-((3-Chlorophenoxy)methyl)quinazoline-2,4-diamine
CID 11688044
7-(2,5-Dimethoxyphenyl)-6-methylquinazoline-2,4-diamine
CID 56676460
7-(2-Ethoxyphenyl)quinazoline-2,4-diamine
CID 56666219
7-(2-Ethoxy-5-methylphenyl)-6-methylquinazoline-2,4-diamine
CID 56673138

Frequently Asked Questions

What is the IUPAC name of 7-(5-chloro-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine?
The IUPAC name of 7-(5-chloro-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine (CID 56659281) is 7-(5-chloro-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine.
What is the SMILES notation for 7-(5-chloro-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine?
The canonical SMILES for 7-(5-chloro-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine is CCOc1ccc(Cl)cc1-c1cc2nc(N)nc(N)c2cc1C.
What is the InChIKey of 7-(5-chloro-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine?
The InChIKey is CDDUFXDZAGJSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-3-23-15-5-4-10(18)7-12(15)11-8-14-13(6-9(11)2)16(19)22-17(20)21-14/h4-8H,3H2,1-2H3,(H4,19,20,21,22).
What are the key properties of 7-(5-chloro-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine?
7-(5-chloro-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine has a molecular weight of 328.80 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chloro-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine is sourced from PubChem (CID 56659281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).