2-oxo-4-phenylmethoxy-1H-quinoline-3-carboximidamide

C17H15N3O2 — CID 142648693

IUPAC2-oxo-4-phenylmethoxy-1H-quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1c(OCc2ccccc2)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H15N3O2/c18-16(19)14-15(22-10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)20-17(14)21/h1-9H,10H2,(H3,18,19)(H,20,21)
InChIKeyCWMXENVPOKYVQZ-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.39
Rot. Bonds4

About 2-oxo-4-phenylmethoxy-1H-quinoline-3-carboximidamide

2-oxo-4-phenylmethoxy-1H-quinoline-3-carboximidamide (PubChem CID 142648693) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-oxo-4-phenylmethoxy-1H-quinoline-3-carboximidamide.

Molecular Properties

Compound Name2-oxo-4-phenylmethoxy-1H-quinoline-3-carboximidamide
PubChem CID142648693
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-oxo-4-phenylmethoxy-1H-quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1c(OCc2ccccc2)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H15N3O2/c18-16(19)14-15(22-10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)20-17(14)21/h1-9H,10H2,(H3,18,19)(H,20,21)
InChIKeyCWMXENVPOKYVQZ-UHFFFAOYSA-N
XLogP2.39
TPSA91.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-phenylmethoxy-1H-indol-2-amine
CID 152577928
4-phenylmethoxy-3-thiophen-2-yl-1H-quinolin-2-one
CID 50916853
3-amino-2-phenylmethoxy-1H-quinolin-4-one
CID 67393102
CID 6334341
CID 6334341
3-bromo-4-ethoxycarbonyl-6-oxo-5-phenylmethoxy-1H-pyridine-2-carboxylic acid
CID 69001184
3-phenylmethoxypyridazine-4-carboximidamide
CID 80514143
4-amino-3-benzoyl-1H-quinolin-2-one
CID 11737142
3,4-dihydroxy-7-phenylmethoxy-1H-quinolin-2-one
CID 139717983
4-[5-(2-phenylmethoxyphenoxy)pentoxy]benzenecarboximidamide
CID 19794887
3-(phenylmethoxymethyl)-1H-quinazoline-2,4-dione
CID 139951410
3-methoxy-4-phenylmethoxy-7-propan-2-yloxy-1H-quinolin-2-one
CID 139717954
benzyl 2-prop-2-enoxy-1H-indole-3-carboxylate
CID 68573887

Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-phenylmethoxy-1H-quinoline-3-carboximidamide?
The IUPAC name of 2-oxo-4-phenylmethoxy-1H-quinoline-3-carboximidamide (CID 142648693) is 2-oxo-4-phenylmethoxy-1H-quinoline-3-carboximidamide.
What is the SMILES notation for 2-oxo-4-phenylmethoxy-1H-quinoline-3-carboximidamide?
The canonical SMILES for 2-oxo-4-phenylmethoxy-1H-quinoline-3-carboximidamide is [H]/N=C(\N)c1c(OCc2ccccc2)c2ccccc2[nH]c1=O.
What is the InChIKey of 2-oxo-4-phenylmethoxy-1H-quinoline-3-carboximidamide?
The InChIKey is CWMXENVPOKYVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c18-16(19)14-15(22-10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)20-17(14)21/h1-9H,10H2,(H3,18,19)(H,20,21).
What are the key properties of 2-oxo-4-phenylmethoxy-1H-quinoline-3-carboximidamide?
2-oxo-4-phenylmethoxy-1H-quinoline-3-carboximidamide has a molecular weight of 293.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-phenylmethoxy-1H-quinoline-3-carboximidamide is sourced from PubChem (CID 142648693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).