2-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine

C16H17Cl2N3 — CID 62008112

IUPAC2-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCNC1CCCc2nc(-c3ccc(Cl)c(Cl)c3)ncc21
InChIInChI=1S/C16H17Cl2N3/c1-2-19-14-4-3-5-15-11(14)9-20-16(21-15)10-6-7-12(17)13(18)8-10/h6-9,14,19H,2-5H2,1H3
InChIKeyVKQAFBGYGMFXQQ-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.44
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine

2-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 62008112) has the molecular formula C16H17Cl2N3 and a molecular weight of 322.24 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID62008112
Molecular FormulaC16H17Cl2N3
Molecular Weight322.24 g/mol
Exact Mass321.08
IUPAC Name2-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCNC1CCCc2nc(-c3ccc(Cl)c(Cl)c3)ncc21
InChIInChI=1S/C16H17Cl2N3/c1-2-19-14-4-3-5-15-11(14)9-20-16(21-15)10-6-7-12(17)13(18)8-10/h6-9,14,19H,2-5H2,1H3
InChIKeyVKQAFBGYGMFXQQ-UHFFFAOYSA-N
XLogP4.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009305
N-ethyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009306
2-(5-bromo-3-pyridinyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385294
2-(5-bromothiophen-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008297
N-ethyl-2-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 114554257
N-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009095
4-[5-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]benzene-1,2-diol
CID 136889223
N-ethyl-2-(2H-triazol-4-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385367
N-ethyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385247
N-ethyl-2-(4-methyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385347
N-ethyl-2-(2-methylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 65422387
N-propyl-2-pyridin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385465

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine (CID 62008112) is 2-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine is CCNC1CCCc2nc(-c3ccc(Cl)c(Cl)c3)ncc21.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is VKQAFBGYGMFXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3/c1-2-19-14-4-3-5-15-11(14)9-20-16(21-15)10-6-7-12(17)13(18)8-10/h6-9,14,19H,2-5H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine?
2-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 322.24 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 62008112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).