7-chloro-5-(3,4-difluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline

C20H16ClF2N3 — CID 156879821

IUPAC7-chloro-5-(3,4-difluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline
SMILESCc1c2nc(Cl)c(C(C)C)c(-c3ccc(F)c(F)c3)c2cc2cn[nH]c12
InChIInChI=1S/C20H16ClF2N3/c1-9(2)16-17(11-4-5-14(22)15(23)7-11)13-6-12-8-24-26-18(12)10(3)19(13)25-20(16)21/h4-9H,1-3H3,(H,24,26)
InChIKeyPVHKQINCRUTVSK-UHFFFAOYSA-N
MW371.82 g/mol
LogP6.14
Rot. Bonds2

About 7-chloro-5-(3,4-difluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline

7-chloro-5-(3,4-difluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline (PubChem CID 156879821) has the molecular formula C20H16ClF2N3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 7-chloro-5-(3,4-difluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline.

Molecular Properties

Compound Name7-chloro-5-(3,4-difluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline
PubChem CID156879821
Molecular FormulaC20H16ClF2N3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name7-chloro-5-(3,4-difluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline
SMILESCc1c2nc(Cl)c(C(C)C)c(-c3ccc(F)c(F)c3)c2cc2cn[nH]c12
InChIInChI=1S/C20H16ClF2N3/c1-9(2)16-17(11-4-5-14(22)15(23)7-11)13-6-12-8-24-26-18(12)10(3)19(13)25-20(16)21/h4-9H,1-3H3,(H,24,26)
InChIKeyPVHKQINCRUTVSK-UHFFFAOYSA-N
XLogP6.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.82
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(3,4-difluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline?
The IUPAC name of 7-chloro-5-(3,4-difluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline (CID 156879821) is 7-chloro-5-(3,4-difluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline.
What is the SMILES notation for 7-chloro-5-(3,4-difluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline?
The canonical SMILES for 7-chloro-5-(3,4-difluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline is Cc1c2nc(Cl)c(C(C)C)c(-c3ccc(F)c(F)c3)c2cc2cn[nH]c12.
What is the InChIKey of 7-chloro-5-(3,4-difluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline?
The InChIKey is PVHKQINCRUTVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2N3/c1-9(2)16-17(11-4-5-14(22)15(23)7-11)13-6-12-8-24-26-18(12)10(3)19(13)25-20(16)21/h4-9H,1-3H3,(H,24,26).
What are the key properties of 7-chloro-5-(3,4-difluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline?
7-chloro-5-(3,4-difluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline has a molecular weight of 371.82 g/mol, XLogP of 6.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(3,4-difluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline is sourced from PubChem (CID 156879821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).