7-anilino-N-[2-(3,3-difluoropyrrolidin-1-yl)prop-2-enyl]quinoline-4-carboxamide

C23H22F2N4O — CID 167136293

IUPAC7-anilino-N-[2-(3,3-difluoropyrrolidin-1-yl)prop-2-enyl]quinoline-4-carboxamide
SMILESC=C(CNC(=O)c1ccnc2cc(Nc3ccccc3)ccc12)N1CCC(F)(F)C1
InChIInChI=1S/C23H22F2N4O/c1-16(29-12-10-23(24,25)15-29)14-27-22(30)20-9-11-26-21-13-18(7-8-19(20)21)28-17-5-3-2-4-6-17/h2-9,11,13,28H,1,10,12,14-15H2,(H,27,30)
InChIKeyWWYYNVBHMRCVFL-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.56
Rot. Bonds6

About 7-anilino-N-[2-(3,3-difluoropyrrolidin-1-yl)prop-2-enyl]quinoline-4-carboxamide

7-anilino-N-[2-(3,3-difluoropyrrolidin-1-yl)prop-2-enyl]quinoline-4-carboxamide (PubChem CID 167136293) has the molecular formula C23H22F2N4O and a molecular weight of 408.45 g/mol. Its IUPAC name is 7-anilino-N-[2-(3,3-difluoropyrrolidin-1-yl)prop-2-enyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name7-anilino-N-[2-(3,3-difluoropyrrolidin-1-yl)prop-2-enyl]quinoline-4-carboxamide
PubChem CID167136293
Molecular FormulaC23H22F2N4O
Molecular Weight408.45 g/mol
Exact Mass408.18
IUPAC Name7-anilino-N-[2-(3,3-difluoropyrrolidin-1-yl)prop-2-enyl]quinoline-4-carboxamide
SMILESC=C(CNC(=O)c1ccnc2cc(Nc3ccccc3)ccc12)N1CCC(F)(F)C1
InChIInChI=1S/C23H22F2N4O/c1-16(29-12-10-23(24,25)15-29)14-27-22(30)20-9-11-26-21-13-18(7-8-19(20)21)28-17-5-3-2-4-6-17/h2-9,11,13,28H,1,10,12,14-15H2,(H,27,30)
InChIKeyWWYYNVBHMRCVFL-UHFFFAOYSA-N
XLogP4.56
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-anilino-N-(2-oxoethyl)quinoline-4-carboxamide
CID 138723428
N-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-formamidoquinoline-4-carboxamide
CID 171107884
N-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propan-2-ylquinoline-4-carboxamide
CID 169159704
(2R)-2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-[4-[4-[[4-[[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]carbamoyl]quinolin-6-yl]amino]-4-oxobutanoyl]piperazin-1-yl]-5-oxopentanoic acid
CID 174316669
CID 177168584
CID 177168584
1-[(quinoline-4-carbonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449424
tert-butyl 4-[2-[[5-[4-[[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]carbamoyl]quinolin-6-yl]pyridine-2-carbonyl]amino]ethyl]piperazine-1-carboxylate
CID 166485860
N-[2-[4,4-difluoro-2-(2-methylpropanoyl)pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 170712594
N-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide
CID 115365406
N'-[2-[[4-[[4-[[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]carbamoyl]quinolin-8-yl]amino]-4-oxobutanoyl]amino]ethyl]pentanediamide;formonitrile
CID 171621866
6-(6-chloronaphthalen-2-yl)-N-[2-[(2R)-2-cyano-4,4-difluoro-2-phenylpyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 154966274
N-[2-[4,4-difluoro-2-[(4-methyl-2-oxochromen-7-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 168949027

Frequently Asked Questions

What is the IUPAC name of 7-anilino-N-[2-(3,3-difluoropyrrolidin-1-yl)prop-2-enyl]quinoline-4-carboxamide?
The IUPAC name of 7-anilino-N-[2-(3,3-difluoropyrrolidin-1-yl)prop-2-enyl]quinoline-4-carboxamide (CID 167136293) is 7-anilino-N-[2-(3,3-difluoropyrrolidin-1-yl)prop-2-enyl]quinoline-4-carboxamide.
What is the SMILES notation for 7-anilino-N-[2-(3,3-difluoropyrrolidin-1-yl)prop-2-enyl]quinoline-4-carboxamide?
The canonical SMILES for 7-anilino-N-[2-(3,3-difluoropyrrolidin-1-yl)prop-2-enyl]quinoline-4-carboxamide is C=C(CNC(=O)c1ccnc2cc(Nc3ccccc3)ccc12)N1CCC(F)(F)C1.
What is the InChIKey of 7-anilino-N-[2-(3,3-difluoropyrrolidin-1-yl)prop-2-enyl]quinoline-4-carboxamide?
The InChIKey is WWYYNVBHMRCVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O/c1-16(29-12-10-23(24,25)15-29)14-27-22(30)20-9-11-26-21-13-18(7-8-19(20)21)28-17-5-3-2-4-6-17/h2-9,11,13,28H,1,10,12,14-15H2,(H,27,30).
What are the key properties of 7-anilino-N-[2-(3,3-difluoropyrrolidin-1-yl)prop-2-enyl]quinoline-4-carboxamide?
7-anilino-N-[2-(3,3-difluoropyrrolidin-1-yl)prop-2-enyl]quinoline-4-carboxamide has a molecular weight of 408.45 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-anilino-N-[2-(3,3-difluoropyrrolidin-1-yl)prop-2-enyl]quinoline-4-carboxamide is sourced from PubChem (CID 167136293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).