1,7-dihydroquinazoline;ethane

C10H14N2 — CID 142336209

IUPAC1,7-dihydroquinazoline;ethane
SMILESC1=CC2=CN=CNC2=CC1.CC
InChIInChI=1S/C8H8N2.C2H6/c1-2-4-8-7(3-1)5-9-6-10-8;1-2/h1,3-6H,2H2,(H,9,10);1-2H3
InChIKeyKDEPGLKDAJEZFS-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.37
Rot. Bonds

About 1,7-dihydroquinazoline;ethane

1,7-dihydroquinazoline;ethane (PubChem CID 142336209) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 1,7-dihydroquinazoline;ethane.

Molecular Properties

Compound Name1,7-dihydroquinazoline;ethane
PubChem CID142336209
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name1,7-dihydroquinazoline;ethane
SMILESC1=CC2=CN=CNC2=CC1.CC
InChIInChI=1S/C8H8N2.C2H6/c1-2-4-8-7(3-1)5-9-6-10-8;1-2/h1,3-6H,2H2,(H,9,10);1-2H3
InChIKeyKDEPGLKDAJEZFS-UHFFFAOYSA-N
XLogP2.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclopenta[g]quinazoline
CID 18925113
Cyclopentaquinazoline
CID 87106084
7-Dimethyl-3,4,7,8-tetrahydroquinazoline
CID 135393541
1H-Cyclohepta[d]pyrimidine
CID 45080488
4-(3-methyl-4H-pyrimidin-5-yl)but-3-en-1-amine
CID 57235119
(E)-4-(3-methyl-4H-pyrimidin-5-yl)but-3-en-1-amine
CID 69536246
7-N,7-dimethyl-1H-quinazoline-2,7-diamine
CID 70100778
1,6-Dihydropyrido[2,3-g]quinazoline
CID 88708143
6-[(Z)-1-(dimethylamino)prop-1-en-2-yl]-1H-pyrimidine-4-thione
CID 89198075
5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
CID 89336052
8-Methyl-1,4,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 90291949
1,4,6,7-Tetrahydroquinazoline
CID 91013130

Frequently Asked Questions

What is the IUPAC name of 1,7-dihydroquinazoline;ethane?
The IUPAC name of 1,7-dihydroquinazoline;ethane (CID 142336209) is 1,7-dihydroquinazoline;ethane.
What is the SMILES notation for 1,7-dihydroquinazoline;ethane?
The canonical SMILES for 1,7-dihydroquinazoline;ethane is C1=CC2=CN=CNC2=CC1.CC.
What is the InChIKey of 1,7-dihydroquinazoline;ethane?
The InChIKey is KDEPGLKDAJEZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.C2H6/c1-2-4-8-7(3-1)5-9-6-10-8;1-2/h1,3-6H,2H2,(H,9,10);1-2H3.
What are the key properties of 1,7-dihydroquinazoline;ethane?
1,7-dihydroquinazoline;ethane has a molecular weight of 162.24 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dihydroquinazoline;ethane is sourced from PubChem (CID 142336209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).