(2-amino-2H-quinolin-3-ylidene)methanone

C10H8N2O — CID 87675351

IUPAC(2-amino-2H-quinolin-3-ylidene)methanone
SMILESNC1N=c2ccccc2=CC1=C=O
InChIInChI=1S/C10H8N2O/c11-10-8(6-13)5-7-3-1-2-4-9(7)12-10/h1-5,10H,11H2
InChIKeyMBGQHLPKVHOIDA-UHFFFAOYSA-N
MW172.19 g/mol
LogP-0.86
Rot. Bonds

About (2-amino-2H-quinolin-3-ylidene)methanone

(2-amino-2H-quinolin-3-ylidene)methanone (PubChem CID 87675351) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is (2-amino-2H-quinolin-3-ylidene)methanone.

Molecular Properties

Compound Name(2-amino-2H-quinolin-3-ylidene)methanone
PubChem CID87675351
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name(2-amino-2H-quinolin-3-ylidene)methanone
SMILESNC1N=c2ccccc2=CC1=C=O
InChIInChI=1S/C10H8N2O/c11-10-8(6-13)5-7-3-1-2-4-9(7)12-10/h1-5,10H,11H2
InChIKeyMBGQHLPKVHOIDA-UHFFFAOYSA-N
XLogP-0.86
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2H-quinolin-3-ylidene)methanone?
The IUPAC name of (2-amino-2H-quinolin-3-ylidene)methanone (CID 87675351) is (2-amino-2H-quinolin-3-ylidene)methanone.
What is the SMILES notation for (2-amino-2H-quinolin-3-ylidene)methanone?
The canonical SMILES for (2-amino-2H-quinolin-3-ylidene)methanone is NC1N=c2ccccc2=CC1=C=O.
What is the InChIKey of (2-amino-2H-quinolin-3-ylidene)methanone?
The InChIKey is MBGQHLPKVHOIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c11-10-8(6-13)5-7-3-1-2-4-9(7)12-10/h1-5,10H,11H2.
What are the key properties of (2-amino-2H-quinolin-3-ylidene)methanone?
(2-amino-2H-quinolin-3-ylidene)methanone has a molecular weight of 172.19 g/mol, XLogP of -0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2H-quinolin-3-ylidene)methanone is sourced from PubChem (CID 87675351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).