2-amino-3-(4-chlorophenyl)-7-methylchromeno[2,3-b]pyridin-5-one

C19H13ClN2O2 — CID 725098

IUPAC2-amino-3-(4-chlorophenyl)-7-methylchromeno[2,3-b]pyridin-5-one
SMILESCc1ccc2oc3nc(N)c(-c4ccc(Cl)cc4)cc3c(=O)c2c1
InChIInChI=1S/C19H13ClN2O2/c1-10-2-7-16-14(8-10)17(23)15-9-13(18(21)22-19(15)24-16)11-3-5-12(20)6-4-11/h2-9H,1H3,(H2,21,22)
InChIKeyTWBQWHYXCFAFHA-UHFFFAOYSA-N
MW336.78 g/mol
LogP4.55
Rot. Bonds1

About 2-amino-3-(4-chlorophenyl)-7-methylchromeno[2,3-b]pyridin-5-one

2-amino-3-(4-chlorophenyl)-7-methylchromeno[2,3-b]pyridin-5-one (PubChem CID 725098) has the molecular formula C19H13ClN2O2 and a molecular weight of 336.78 g/mol. Its IUPAC name is 2-amino-3-(4-chlorophenyl)-7-methylchromeno[2,3-b]pyridin-5-one.

Molecular Properties

Compound Name2-amino-3-(4-chlorophenyl)-7-methylchromeno[2,3-b]pyridin-5-one
PubChem CID725098
Molecular FormulaC19H13ClN2O2
Molecular Weight336.78 g/mol
Exact Mass336.07
IUPAC Name2-amino-3-(4-chlorophenyl)-7-methylchromeno[2,3-b]pyridin-5-one
SMILESCc1ccc2oc3nc(N)c(-c4ccc(Cl)cc4)cc3c(=O)c2c1
InChIInChI=1S/C19H13ClN2O2/c1-10-2-7-16-14(8-10)17(23)15-9-13(18(21)22-19(15)24-16)11-3-5-12(20)6-4-11/h2-9H,1H3,(H2,21,22)
InChIKeyTWBQWHYXCFAFHA-UHFFFAOYSA-N
XLogP4.55
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(aminomethyl)-7-methylchromeno[2,3-b]pyridin-5-one
CID 142908472
3-acetyl-2-amino-7-methylchromeno[2,3-b]pyridin-5-one
CID 160866226
2-amino-3-(1,3-benzothiazol-2-yl)-7-chlorochromeno[2,3-b]pyridin-5-one
CID 75366118
9,24-dimethyl-5,28-dioxa-3,30-diazaheptacyclo[16.12.0.02,15.04,13.06,11.020,29.022,27]triaconta-1(30),2,4(13),6(11),7,9,14,18,20(29),22(27),23,25-dodecaene-12,21-dione
CID 177440034
7-methyl-2-phenylchromeno[2,3-b]pyridin-5-one
CID 71384416
6,13-dimethyl-2-oxa-14,15,17-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-9-one
CID 139229443
7-chloro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
CID 3780301
3-(4-chlorophenyl)-7-methylchromen-2-one
CID 95049008
4-(4-chlorophenyl)-7-methylisoquinoline-1,3-diamine
CID 143290184
2-methyl-7-phenylxanthen-9-one
CID 123326805
2-amino-7,8-dimethyl-3-(1-methylbenzimidazol-2-yl)chromeno[2,3-b]pyridin-5-one
CID 75366120
2-(2,4-dichlorophenyl)-3-hydroxy-6-methylchromen-4-one
CID 7729084

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-chlorophenyl)-7-methylchromeno[2,3-b]pyridin-5-one?
The IUPAC name of 2-amino-3-(4-chlorophenyl)-7-methylchromeno[2,3-b]pyridin-5-one (CID 725098) is 2-amino-3-(4-chlorophenyl)-7-methylchromeno[2,3-b]pyridin-5-one.
What is the SMILES notation for 2-amino-3-(4-chlorophenyl)-7-methylchromeno[2,3-b]pyridin-5-one?
The canonical SMILES for 2-amino-3-(4-chlorophenyl)-7-methylchromeno[2,3-b]pyridin-5-one is Cc1ccc2oc3nc(N)c(-c4ccc(Cl)cc4)cc3c(=O)c2c1.
What is the InChIKey of 2-amino-3-(4-chlorophenyl)-7-methylchromeno[2,3-b]pyridin-5-one?
The InChIKey is TWBQWHYXCFAFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O2/c1-10-2-7-16-14(8-10)17(23)15-9-13(18(21)22-19(15)24-16)11-3-5-12(20)6-4-11/h2-9H,1H3,(H2,21,22).
What are the key properties of 2-amino-3-(4-chlorophenyl)-7-methylchromeno[2,3-b]pyridin-5-one?
2-amino-3-(4-chlorophenyl)-7-methylchromeno[2,3-b]pyridin-5-one has a molecular weight of 336.78 g/mol, XLogP of 4.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-chlorophenyl)-7-methylchromeno[2,3-b]pyridin-5-one is sourced from PubChem (CID 725098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).