2-N-(4-ethoxyphenyl)quinazoline-2,4-diamine;hydrochloride

C16H17ClN4O — CID 2952997

IUPAC2-N-(4-ethoxyphenyl)quinazoline-2,4-diamine;hydrochloride
SMILESCCOc1ccc(Nc2nc(N)c3ccccc3n2)cc1.Cl
InChIInChI=1S/C16H16N4O.ClH/c1-2-21-12-9-7-11(8-10-12)18-16-19-14-6-4-3-5-13(14)15(17)20-16;/h3-10H,2H2,1H3,(H3,17,18,19,20);1H
InChIKeyDEGSOOYBAVYDEO-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.78
Rot. Bonds4

About 2-N-(4-ethoxyphenyl)quinazoline-2,4-diamine;hydrochloride

2-N-(4-ethoxyphenyl)quinazoline-2,4-diamine;hydrochloride (PubChem CID 2952997) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-N-(4-ethoxyphenyl)quinazoline-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-(4-ethoxyphenyl)quinazoline-2,4-diamine;hydrochloride
PubChem CID2952997
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name2-N-(4-ethoxyphenyl)quinazoline-2,4-diamine;hydrochloride
SMILESCCOc1ccc(Nc2nc(N)c3ccccc3n2)cc1.Cl
InChIInChI=1S/C16H16N4O.ClH/c1-2-21-12-9-7-11(8-10-12)18-16-19-14-6-4-3-5-13(14)15(17)20-16;/h3-10H,2H2,1H3,(H3,17,18,19,20);1H
InChIKeyDEGSOOYBAVYDEO-UHFFFAOYSA-N
XLogP3.78
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 18560677
4-ethoxy-N-phenylquinazolin-2-amine
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N-(4-ethoxyphenyl)quinazolin-4-amine;hydrochloride
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N-(4-ethoxyphenyl)-2-phenylquinazolin-4-amine
CID 2459759
2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride
CID 67725035
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1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
2-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine
CID 50947631
2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580366
4-(4-ethoxyanilino)quinoline-3-carbonitrile
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CID 18966036
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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethoxyphenyl)quinazoline-2,4-diamine;hydrochloride?
The IUPAC name of 2-N-(4-ethoxyphenyl)quinazoline-2,4-diamine;hydrochloride (CID 2952997) is 2-N-(4-ethoxyphenyl)quinazoline-2,4-diamine;hydrochloride.
What is the SMILES notation for 2-N-(4-ethoxyphenyl)quinazoline-2,4-diamine;hydrochloride?
The canonical SMILES for 2-N-(4-ethoxyphenyl)quinazoline-2,4-diamine;hydrochloride is CCOc1ccc(Nc2nc(N)c3ccccc3n2)cc1.Cl.
What is the InChIKey of 2-N-(4-ethoxyphenyl)quinazoline-2,4-diamine;hydrochloride?
The InChIKey is DEGSOOYBAVYDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O.ClH/c1-2-21-12-9-7-11(8-10-12)18-16-19-14-6-4-3-5-13(14)15(17)20-16;/h3-10H,2H2,1H3,(H3,17,18,19,20);1H.
What are the key properties of 2-N-(4-ethoxyphenyl)quinazoline-2,4-diamine;hydrochloride?
2-N-(4-ethoxyphenyl)quinazoline-2,4-diamine;hydrochloride has a molecular weight of 316.79 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethoxyphenyl)quinazoline-2,4-diamine;hydrochloride is sourced from PubChem (CID 2952997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).