N-[2-amino-3-cyano-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]pyridine-3-carboxamide

C24H22FN5O2 — CID 23742788

IUPACN-[2-amino-3-cyano-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]pyridine-3-carboxamide
SMILESCC1(C)CC(=O)C2=C(C1)N(NC(=O)c1cccnc1)C(N)=C(C#N)C2c1ccccc1F
InChIInChI=1S/C24H22FN5O2/c1-24(2)10-18-21(19(31)11-24)20(15-7-3-4-8-17(15)25)16(12-26)22(27)30(18)29-23(32)14-6-5-9-28-13-14/h3-9,13,20H,10-11,27H2,1-2H3,(H,29,32)
InChIKeySGIIPSHHAJFRGA-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.30
Rot. Bonds3

About N-[2-amino-3-cyano-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]pyridine-3-carboxamide

N-[2-amino-3-cyano-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]pyridine-3-carboxamide (PubChem CID 23742788) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is N-[2-amino-3-cyano-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-amino-3-cyano-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]pyridine-3-carboxamide
PubChem CID23742788
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC NameN-[2-amino-3-cyano-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]pyridine-3-carboxamide
SMILESCC1(C)CC(=O)C2=C(C1)N(NC(=O)c1cccnc1)C(N)=C(C#N)C2c1ccccc1F
InChIInChI=1S/C24H22FN5O2/c1-24(2)10-18-21(19(31)11-24)20(15-7-3-4-8-17(15)25)16(12-26)22(27)30(18)29-23(32)14-6-5-9-28-13-14/h3-9,13,20H,10-11,27H2,1-2H3,(H,29,32)
InChIKeySGIIPSHHAJFRGA-UHFFFAOYSA-N
XLogP3.30
TPSA112.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-3-cyano-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-amino-3-cyano-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]pyridine-3-carboxamide (CID 23742788) is N-[2-amino-3-cyano-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-amino-3-cyano-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-amino-3-cyano-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]pyridine-3-carboxamide is CC1(C)CC(=O)C2=C(C1)N(NC(=O)c1cccnc1)C(N)=C(C#N)C2c1ccccc1F.
What is the InChIKey of N-[2-amino-3-cyano-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]pyridine-3-carboxamide?
The InChIKey is SGIIPSHHAJFRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-24(2)10-18-21(19(31)11-24)20(15-7-3-4-8-17(15)25)16(12-26)22(27)30(18)29-23(32)14-6-5-9-28-13-14/h3-9,13,20H,10-11,27H2,1-2H3,(H,29,32).
What are the key properties of N-[2-amino-3-cyano-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]pyridine-3-carboxamide?
N-[2-amino-3-cyano-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]pyridine-3-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-3-cyano-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 23742788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).