N-[[(E)-2-quinolin-3-ylethenyl]amino]formamide

C12H11N3O — CID 20696184

IUPACN-[[(E)-2-quinolin-3-ylethenyl]amino]formamide
SMILESO=CNN/C=C/c1cnc2ccccc2c1
InChIInChI=1S/C12H11N3O/c16-9-15-14-6-5-10-7-11-3-1-2-4-12(11)13-8-10/h1-9,14H,(H,15,16)/b6-5+
InChIKeyQHZSKFWYFDFWLV-AATRIKPKSA-N
MW213.24 g/mol
LogP1.46
Rot. Bonds4

About N-[[(E)-2-quinolin-3-ylethenyl]amino]formamide

N-[[(E)-2-quinolin-3-ylethenyl]amino]formamide (PubChem CID 20696184) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is N-[[(E)-2-quinolin-3-ylethenyl]amino]formamide.

Molecular Properties

Compound NameN-[[(E)-2-quinolin-3-ylethenyl]amino]formamide
PubChem CID20696184
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC NameN-[[(E)-2-quinolin-3-ylethenyl]amino]formamide
SMILESO=CNN/C=C/c1cnc2ccccc2c1
InChIInChI=1S/C12H11N3O/c16-9-15-14-6-5-10-7-11-3-1-2-4-12(11)13-8-10/h1-9,14H,(H,15,16)/b6-5+
InChIKeyQHZSKFWYFDFWLV-AATRIKPKSA-N
XLogP1.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[(E)-2-naphthalen-2-ylethenyl]amino]formamide
CID 20696183
3-[(Z)-2-naphthalen-2-ylethenyl]quinoline
CID 11300516
(E)-3-quinolin-3-ylprop-2-enoate
CID 6986523
3-(2-pyridin-2-ylethenyl)quinoline
CID 66775242
3-[(E)-2-methoxyethenyl]quinoline
CID 13227319
N-ethyl-4-quinolin-3-ylbut-3-en-1-amine
CID 79593603
ethane;(E)-3-quinolin-3-ylprop-2-en-1-ol
CID 142035517
(E)-2-methyl-4-quinolin-3-ylbut-3-en-2-ol
CID 134838021
3-[(E)-2-(6-methyl-1,2,4,5-tetrazin-3-yl)ethenyl]quinoline
CID 122450322
quinoline-3-carbaldehyde;quinolin-3-ylmethanol
CID 87606996
3-[(E)-3,3-dimethoxyprop-1-enyl]quinoline
CID 59873189
(4S,5R)-4,5-dihydroxy-3-[(E)-2-quinolin-3-ylethenyl]cyclopent-2-en-1-one
CID 178074847

Frequently Asked Questions

What is the IUPAC name of N-[[(E)-2-quinolin-3-ylethenyl]amino]formamide?
The IUPAC name of N-[[(E)-2-quinolin-3-ylethenyl]amino]formamide (CID 20696184) is N-[[(E)-2-quinolin-3-ylethenyl]amino]formamide.
What is the SMILES notation for N-[[(E)-2-quinolin-3-ylethenyl]amino]formamide?
The canonical SMILES for N-[[(E)-2-quinolin-3-ylethenyl]amino]formamide is O=CNN/C=C/c1cnc2ccccc2c1.
What is the InChIKey of N-[[(E)-2-quinolin-3-ylethenyl]amino]formamide?
The InChIKey is QHZSKFWYFDFWLV-AATRIKPKSA-N. The full InChI is InChI=1S/C12H11N3O/c16-9-15-14-6-5-10-7-11-3-1-2-4-12(11)13-8-10/h1-9,14H,(H,15,16)/b6-5+.
What are the key properties of N-[[(E)-2-quinolin-3-ylethenyl]amino]formamide?
N-[[(E)-2-quinolin-3-ylethenyl]amino]formamide has a molecular weight of 213.24 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(E)-2-quinolin-3-ylethenyl]amino]formamide is sourced from PubChem (CID 20696184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).