2-(aminomethyl)-6-[1-(iodoamino)-3-methyliminoprop-1-en-2-yl]-1H-quinolin-4-one

C14H15IN4O — CID 163667105

IUPAC2-(aminomethyl)-6-[1-(iodoamino)-3-methyliminoprop-1-en-2-yl]-1H-quinolin-4-one
SMILESC/N=C/C(=CNI)c1ccc2[nH]c(CN)cc(=O)c2c1
InChIInChI=1S/C14H15IN4O/c1-17-7-10(8-18-15)9-2-3-13-12(4-9)14(20)5-11(6-16)19-13/h2-5,7-8,18H,6,16H2,1H3,(H,19,20)/b10-8?,17-7+
InChIKeyCOHHIDFMMOCXFY-JQTMIISWSA-N
MW382.21 g/mol
LogP1.97
Rot. Bonds4

About 2-(aminomethyl)-6-[1-(iodoamino)-3-methyliminoprop-1-en-2-yl]-1H-quinolin-4-one

2-(aminomethyl)-6-[1-(iodoamino)-3-methyliminoprop-1-en-2-yl]-1H-quinolin-4-one (PubChem CID 163667105) has the molecular formula C14H15IN4O and a molecular weight of 382.21 g/mol. Its IUPAC name is 2-(aminomethyl)-6-[1-(iodoamino)-3-methyliminoprop-1-en-2-yl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-6-[1-(iodoamino)-3-methyliminoprop-1-en-2-yl]-1H-quinolin-4-one
PubChem CID163667105
Molecular FormulaC14H15IN4O
Molecular Weight382.21 g/mol
Exact Mass382.03
IUPAC Name2-(aminomethyl)-6-[1-(iodoamino)-3-methyliminoprop-1-en-2-yl]-1H-quinolin-4-one
SMILESC/N=C/C(=CNI)c1ccc2[nH]c(CN)cc(=O)c2c1
InChIInChI=1S/C14H15IN4O/c1-17-7-10(8-18-15)9-2-3-13-12(4-9)14(20)5-11(6-16)19-13/h2-5,7-8,18H,6,16H2,1H3,(H,19,20)/b10-8?,17-7+
InChIKeyCOHHIDFMMOCXFY-JQTMIISWSA-N
XLogP1.97
TPSA83.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.21
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-6,7-difluoro-1H-quinolin-4-one
CID 82507992
2-(aminomethyl)-6-(4-fluorophenoxy)-1H-quinolin-4-one
CID 130302132
2-(aminomethyl)-6-(tetrazol-1-yl)-1H-quinolin-4-one
CID 130302183
propyl 2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 7109613
2-(6-methoxy-4-oxo-1H-quinolin-2-yl)acetamide
CID 25174598
6-tert-butyl-2-ethyl-1H-quinolin-4-one
CID 43668294
2-[[methyl-[(2S)-2-morpholin-4-ylpropyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide
CID 124906724
2-(ethylaminomethyl)-1H-quinolin-4-one
CID 71077140
ethyl 2-(6-fluoro-4-oxo-1H-quinolin-2-yl)acetate
CID 23992270
methyl 2-ethyl-4-oxo-1H-quinoline-7-carboxylate
CID 126753254
6-ethoxy-2-ethyl-1H-quinolin-4-one
CID 43668050
2-(3,7-dimethylocta-2,6-dienyl)-1H-quinolin-4-one
CID 90993650

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-[1-(iodoamino)-3-methyliminoprop-1-en-2-yl]-1H-quinolin-4-one?
The IUPAC name of 2-(aminomethyl)-6-[1-(iodoamino)-3-methyliminoprop-1-en-2-yl]-1H-quinolin-4-one (CID 163667105) is 2-(aminomethyl)-6-[1-(iodoamino)-3-methyliminoprop-1-en-2-yl]-1H-quinolin-4-one.
What is the SMILES notation for 2-(aminomethyl)-6-[1-(iodoamino)-3-methyliminoprop-1-en-2-yl]-1H-quinolin-4-one?
The canonical SMILES for 2-(aminomethyl)-6-[1-(iodoamino)-3-methyliminoprop-1-en-2-yl]-1H-quinolin-4-one is C/N=C/C(=CNI)c1ccc2[nH]c(CN)cc(=O)c2c1.
What is the InChIKey of 2-(aminomethyl)-6-[1-(iodoamino)-3-methyliminoprop-1-en-2-yl]-1H-quinolin-4-one?
The InChIKey is COHHIDFMMOCXFY-JQTMIISWSA-N. The full InChI is InChI=1S/C14H15IN4O/c1-17-7-10(8-18-15)9-2-3-13-12(4-9)14(20)5-11(6-16)19-13/h2-5,7-8,18H,6,16H2,1H3,(H,19,20)/b10-8?,17-7+.
What are the key properties of 2-(aminomethyl)-6-[1-(iodoamino)-3-methyliminoprop-1-en-2-yl]-1H-quinolin-4-one?
2-(aminomethyl)-6-[1-(iodoamino)-3-methyliminoprop-1-en-2-yl]-1H-quinolin-4-one has a molecular weight of 382.21 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-[1-(iodoamino)-3-methyliminoprop-1-en-2-yl]-1H-quinolin-4-one is sourced from PubChem (CID 163667105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).