3-(cyclopropylmethyl)-7-iodo-1H-quinolin-2-one

C13H12INO — CID 67032964

IUPAC3-(cyclopropylmethyl)-7-iodo-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(I)ccc2cc1CC1CC1
InChIInChI=1S/C13H12INO/c14-11-4-3-9-6-10(5-8-1-2-8)13(16)15-12(9)7-11/h3-4,6-8H,1-2,5H2,(H,15,16)
InChIKeyDZMLENHZSBBUQV-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.09
Rot. Bonds2

About 3-(cyclopropylmethyl)-7-iodo-1H-quinolin-2-one

3-(cyclopropylmethyl)-7-iodo-1H-quinolin-2-one (PubChem CID 67032964) has the molecular formula C13H12INO and a molecular weight of 325.15 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-7-iodo-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-7-iodo-1H-quinolin-2-one
PubChem CID67032964
Molecular FormulaC13H12INO
Molecular Weight325.15 g/mol
Exact Mass325.00
IUPAC Name3-(cyclopropylmethyl)-7-iodo-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(I)ccc2cc1CC1CC1
InChIInChI=1S/C13H12INO/c14-11-4-3-9-6-10(5-8-1-2-8)13(16)15-12(9)7-11/h3-4,6-8H,1-2,5H2,(H,15,16)
InChIKeyDZMLENHZSBBUQV-UHFFFAOYSA-N
XLogP3.09
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-7-iodo-1H-quinolin-2-one?
The IUPAC name of 3-(cyclopropylmethyl)-7-iodo-1H-quinolin-2-one (CID 67032964) is 3-(cyclopropylmethyl)-7-iodo-1H-quinolin-2-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-7-iodo-1H-quinolin-2-one?
The canonical SMILES for 3-(cyclopropylmethyl)-7-iodo-1H-quinolin-2-one is O=c1[nH]c2cc(I)ccc2cc1CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-7-iodo-1H-quinolin-2-one?
The InChIKey is DZMLENHZSBBUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12INO/c14-11-4-3-9-6-10(5-8-1-2-8)13(16)15-12(9)7-11/h3-4,6-8H,1-2,5H2,(H,15,16).
What are the key properties of 3-(cyclopropylmethyl)-7-iodo-1H-quinolin-2-one?
3-(cyclopropylmethyl)-7-iodo-1H-quinolin-2-one has a molecular weight of 325.15 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-7-iodo-1H-quinolin-2-one is sourced from PubChem (CID 67032964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).