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

C17H14BrClIN3O — CID 164523585

IUPAC6-bromo-4-chloro-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one
SMILESCc1ccnc(C(C)C)c1-n1c(=O)nc(Cl)c2cc(Br)c(I)cc21
InChIInChI=1S/C17H14BrClIN3O/c1-8(2)14-15(9(3)4-5-21-14)23-13-7-12(20)11(18)6-10(13)16(19)22-17(23)24/h4-8H,1-3H3
InChIKeyHDXIZUYCJWJRCG-UHFFFAOYSA-N
MW518.58 g/mol
LogP5.23
Rot. Bonds2

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

6-bromo-4-chloro-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one (PubChem CID 164523585) has the molecular formula C17H14BrClIN3O and a molecular weight of 518.58 g/mol. Its IUPAC name is 6-bromo-4-chloro-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one.

Molecular Properties

Compound Name6-bromo-4-chloro-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one
PubChem CID164523585
Molecular FormulaC17H14BrClIN3O
Molecular Weight518.58 g/mol
Exact Mass516.91
IUPAC Name6-bromo-4-chloro-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one
SMILESCc1ccnc(C(C)C)c1-n1c(=O)nc(Cl)c2cc(Br)c(I)cc21
InChIInChI=1S/C17H14BrClIN3O/c1-8(2)14-15(9(3)4-5-21-14)23-13-7-12(20)11(18)6-10(13)16(19)22-17(23)24/h4-8H,1-3H3
InChIKeyHDXIZUYCJWJRCG-UHFFFAOYSA-N
XLogP5.23
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.58
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-bromo-4-chloro-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-bromo-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinolin-2-one
CID 175734707
4,7-dichloro-5-cyclopropyloxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-2-one
CID 156635198
4-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-7-(2-methylsulfanyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 155727100
4,7-dichloro-6-fluoro-1-[4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one
CID 156697793
7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione
CID 154593935
1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 153278613
6,7-dichloro-4-(4-methyl-2-propan-2-yl-3-pyridinyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
CID 163236140
7-bromo-6-chloro-8-fluoro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonylquinolin-2-one
CID 163560177
CID 163976320
CID 163976320
5,7-dichloro-8-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidine-2,4-dione
CID 165158840
6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 175891247
4-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile
CID 156785247

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one?
The IUPAC name of 6-bromo-4-chloro-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one (CID 164523585) is 6-bromo-4-chloro-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one.
What is the SMILES notation for 6-bromo-4-chloro-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one?
The canonical SMILES for 6-bromo-4-chloro-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one is Cc1ccnc(C(C)C)c1-n1c(=O)nc(Cl)c2cc(Br)c(I)cc21.
What is the InChIKey of 6-bromo-4-chloro-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one?
The InChIKey is HDXIZUYCJWJRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClIN3O/c1-8(2)14-15(9(3)4-5-21-14)23-13-7-12(20)11(18)6-10(13)16(19)22-17(23)24/h4-8H,1-3H3.
What are the key properties of 6-bromo-4-chloro-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one?
6-bromo-4-chloro-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one has a molecular weight of 518.58 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one is sourced from PubChem (CID 164523585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).