6-bromo-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinolin-2-one

C18H16BrIN2O — CID 175734707

IUPAC6-bromo-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinolin-2-one
SMILESCc1ccnc(C(C)C)c1-n1c(=O)ccc2cc(Br)c(I)cc21
InChIInChI=1S/C18H16BrIN2O/c1-10(2)17-18(11(3)6-7-21-17)22-15-9-14(20)13(19)8-12(15)4-5-16(22)23/h4-10H,1-3H3
InChIKeyHNPNVRJRAMLSOA-UHFFFAOYSA-N
MW483.15 g/mol
LogP5.18
Rot. Bonds2

About 6-bromo-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinolin-2-one

6-bromo-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinolin-2-one (PubChem CID 175734707) has the molecular formula C18H16BrIN2O and a molecular weight of 483.15 g/mol. Its IUPAC name is 6-bromo-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinolin-2-one.

Molecular Properties

Compound Name6-bromo-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinolin-2-one
PubChem CID175734707
Molecular FormulaC18H16BrIN2O
Molecular Weight483.15 g/mol
Exact Mass481.95
IUPAC Name6-bromo-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinolin-2-one
SMILESCc1ccnc(C(C)C)c1-n1c(=O)ccc2cc(Br)c(I)cc21
InChIInChI=1S/C18H16BrIN2O/c1-10(2)17-18(11(3)6-7-21-17)22-15-9-14(20)13(19)8-12(15)4-5-16(22)23/h4-10H,1-3H3
InChIKeyHNPNVRJRAMLSOA-UHFFFAOYSA-N
XLogP5.18
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.15
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bromazepam
CID 2441
N-(4-bromo-2-methylphenyl)-2-[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]acetamide
CID 10024158
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-bromo-1-(2-diethylamino)ethyl-5-(2-pyridyl)-, hydrochloride
CID 19866
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-bromo-1-(3-(dimethylamino)propyl)-5-(2-pyridyl)-, dihydrochloride
CID 20538
N-Methylbromazepam
CID 630183
Bromazepam-d4
CID 46780886
7-Bromo-5-(3,6-dimethylpyrazin-2-yl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 12377821
3-Amino-6-bromo-4-(pyridin-2-yl)quinolin-2(1H)-one
CID 12702961
N-(4-bromophenyl)-N-(5-fluoro-2-pyridin-2-ylphenyl)acetamide
CID 134837207
6-(3-bromophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3(2H)-one
CID 16831237
7-bromo-1-[2-(diethylamino)ethyl]-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one
CID 19867
7-bromo-3-fluoro-1-methyl-5-pyridin-4-yl-3H-1,4-benzodiazepin-2-one
CID 23332578

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinolin-2-one?
The IUPAC name of 6-bromo-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinolin-2-one (CID 175734707) is 6-bromo-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinolin-2-one.
What is the SMILES notation for 6-bromo-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinolin-2-one?
The canonical SMILES for 6-bromo-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinolin-2-one is Cc1ccnc(C(C)C)c1-n1c(=O)ccc2cc(Br)c(I)cc21.
What is the InChIKey of 6-bromo-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinolin-2-one?
The InChIKey is HNPNVRJRAMLSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrIN2O/c1-10(2)17-18(11(3)6-7-21-17)22-15-9-14(20)13(19)8-12(15)4-5-16(22)23/h4-10H,1-3H3.
What are the key properties of 6-bromo-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinolin-2-one?
6-bromo-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinolin-2-one has a molecular weight of 483.15 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinolin-2-one is sourced from PubChem (CID 175734707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).