1,2-dihydrocinnoline;quinazoline

C16H14N4 — CID 177193666

IUPAC1,2-dihydrocinnoline;quinazoline
SMILESC1=Cc2ccccc2NN1.c1ccc2ncncc2c1
InChIInChI=1S/C8H6N2.C8H8N2/c1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8/h1-6H;1-6,9-10H
InChIKeyKBVBPAQBTSHDDW-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.22
Rot. Bonds

About 1,2-dihydrocinnoline;quinazoline

1,2-dihydrocinnoline;quinazoline (PubChem CID 177193666) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 1,2-dihydrocinnoline;quinazoline.

Molecular Properties

Compound Name1,2-dihydrocinnoline;quinazoline
PubChem CID177193666
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name1,2-dihydrocinnoline;quinazoline
SMILESC1=Cc2ccccc2NN1.c1ccc2ncncc2c1
InChIInChI=1S/C8H6N2.C8H8N2/c1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8/h1-6H;1-6,9-10H
InChIKeyKBVBPAQBTSHDDW-UHFFFAOYSA-N
XLogP3.22
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indene;quinazoline
CID 159761989
phenanthrene;quinazoline
CID 175352249
quinazoline;sulfuric acid
CID 68666384
pyridine;quinazoline;hydrofluoride
CID 159567796
1H-pyrazole;quinazoline
CID 157207291
2,3-dihydro-1,3-oxazole;quinazoline
CID 137376662
2,1-benzothiazole;quinazoline
CID 145320674
pyridine;pentakis(1H-pyrrole);quinazoline
CID 161401177
2-bromo-4-(4-phenylphenyl)quinazoline;quinazoline
CID 162066180
N,N-dimethylnitramide;quinazoline
CID 18176213
2-hydroxypropanoic acid;quinazoline
CID 157213189
oxalonitrile;pyridine;quinazoline;hydrochloride;hydrofluoride
CID 158007828

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydrocinnoline;quinazoline?
The IUPAC name of 1,2-dihydrocinnoline;quinazoline (CID 177193666) is 1,2-dihydrocinnoline;quinazoline.
What is the SMILES notation for 1,2-dihydrocinnoline;quinazoline?
The canonical SMILES for 1,2-dihydrocinnoline;quinazoline is C1=Cc2ccccc2NN1.c1ccc2ncncc2c1.
What is the InChIKey of 1,2-dihydrocinnoline;quinazoline?
The InChIKey is KBVBPAQBTSHDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.C8H8N2/c1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8/h1-6H;1-6,9-10H.
What are the key properties of 1,2-dihydrocinnoline;quinazoline?
1,2-dihydrocinnoline;quinazoline has a molecular weight of 262.32 g/mol, XLogP of 3.22, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydrocinnoline;quinazoline is sourced from PubChem (CID 177193666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).