4,4a-dihydroquinazoline;ethane

C12H20N2 — CID 142853989

IUPAC4,4a-dihydroquinazoline;ethane
SMILESC1=CC2=NC=NCC2C=C1.CC.CC
InChIInChI=1S/C8H8N2.2C2H6/c1-2-4-8-7(3-1)5-9-6-10-8;2*1-2/h1-4,6-7H,5H2;2*1-2H3
InChIKeyXHMURFIKLRPAQB-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.26
Rot. Bonds

About 4,4a-dihydroquinazoline;ethane

4,4a-dihydroquinazoline;ethane (PubChem CID 142853989) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4,4a-dihydroquinazoline;ethane.

Molecular Properties

Compound Name4,4a-dihydroquinazoline;ethane
PubChem CID142853989
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4,4a-dihydroquinazoline;ethane
SMILESC1=CC2=NC=NCC2C=C1.CC.CC
InChIInChI=1S/C8H8N2.2C2H6/c1-2-4-8-7(3-1)5-9-6-10-8;2*1-2/h1-4,6-7H,5H2;2*1-2H3
InChIKeyXHMURFIKLRPAQB-UHFFFAOYSA-N
XLogP3.26
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4a,8a-Dihydroquinazoline
CID 20709896
2-Butyl-4a,8a-dihydroquinazoline
CID 21014293
4aH-quinazoline-4-thione
CID 57283421
8a-methyl-4aH-quinazoline
CID 70236079
2-Methyl-4a,8a-dihydroquinazoline
CID 70258476
4,4a-Dihydroquinazoline
CID 118369125
(3S,8R)-2,3,7,8-tetramethyl-3,8-dihydropyrido[2,3-b][1,8]naphthyridine
CID 129067767
2-Ethyl-4,4a-dihydroquinazoline
CID 138718106
ethane;N'-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide
CID 141880734
5-Methyl-4a,5-dihydroquinazoline
CID 143058984
N-cyclohexa-2,4-dien-1-ylidene-N'-methylmethanimidamide;ethane
CID 143085196
2,3,7,8-Tetramethyl-7,8-dihydropyrido[2,3-b][1,8]naphthyridine
CID 144336419

Frequently Asked Questions

What is the IUPAC name of 4,4a-dihydroquinazoline;ethane?
The IUPAC name of 4,4a-dihydroquinazoline;ethane (CID 142853989) is 4,4a-dihydroquinazoline;ethane.
What is the SMILES notation for 4,4a-dihydroquinazoline;ethane?
The canonical SMILES for 4,4a-dihydroquinazoline;ethane is C1=CC2=NC=NCC2C=C1.CC.CC.
What is the InChIKey of 4,4a-dihydroquinazoline;ethane?
The InChIKey is XHMURFIKLRPAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.2C2H6/c1-2-4-8-7(3-1)5-9-6-10-8;2*1-2/h1-4,6-7H,5H2;2*1-2H3.
What are the key properties of 4,4a-dihydroquinazoline;ethane?
4,4a-dihydroquinazoline;ethane has a molecular weight of 192.31 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4a-dihydroquinazoline;ethane is sourced from PubChem (CID 142853989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).