(3,5-difluorophenyl)-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]methanone

C25H18F2N2O — CID 77225077

IUPAC(3,5-difluorophenyl)-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]methanone
SMILESO=C(c1cc(F)cc(F)c1)c1cccc2nc(NC3CCc4ccccc43)ccc12
InChIInChI=1S/C25H18F2N2O/c26-17-12-16(13-18(27)14-17)25(30)21-6-3-7-22-20(21)9-11-24(28-22)29-23-10-8-15-4-1-2-5-19(15)23/h1-7,9,11-14,23H,8,10H2,(H,28,29)
InChIKeyUJNAOYQYDDJMGB-UHFFFAOYSA-N
MW400.43 g/mol
LogP5.84
Rot. Bonds4

About (3,5-difluorophenyl)-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]methanone

(3,5-difluorophenyl)-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]methanone (PubChem CID 77225077) has the molecular formula C25H18F2N2O and a molecular weight of 400.43 g/mol. Its IUPAC name is (3,5-difluorophenyl)-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]methanone
PubChem CID77225077
Molecular FormulaC25H18F2N2O
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name(3,5-difluorophenyl)-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]methanone
SMILESO=C(c1cc(F)cc(F)c1)c1cccc2nc(NC3CCc4ccccc43)ccc12
InChIInChI=1S/C25H18F2N2O/c26-17-12-16(13-18(27)14-17)25(30)21-6-3-7-22-20(21)9-11-24(28-22)29-23-10-8-15-4-1-2-5-19(15)23/h1-7,9,11-14,23H,8,10H2,(H,28,29)
InChIKeyUJNAOYQYDDJMGB-UHFFFAOYSA-N
XLogP5.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-fluorobenzenecarboximidoyl)quinolin-2-amine
CID 86620841
5-(benzenecarboximidoyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]quinolin-2-amine
CID 25016238
5-(2-chlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]quinolin-2-amine
CID 25016500
N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 74953644
N-(2,3-dihydro-1H-inden-1-yl)-6-fluoropyridin-2-amine
CID 115591065
1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-phenylurea
CID 74953904
N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methoxyphenyl)acetamide
CID 74953808
2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-7-yl)quinoline-2,5-diamine
CID 25016501
6-bromo-N-(2,3-dihydro-1H-inden-1-yl)quinolin-2-amine
CID 68914486
N-(2,3-dihydro-1H-inden-1-yl)-5-[(3-methoxyphenyl)methoxy]quinolin-2-amine
CID 67096058
2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-imidazol-2-ylmethyl)quinoline-2,5-diamine
CID 67096011
3,4,5-trifluoro-N-[2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]quinolin-5-yl]benzenesulfonamide
CID 25019064

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]methanone?
The IUPAC name of (3,5-difluorophenyl)-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]methanone (CID 77225077) is (3,5-difluorophenyl)-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]methanone.
What is the SMILES notation for (3,5-difluorophenyl)-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]methanone?
The canonical SMILES for (3,5-difluorophenyl)-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]methanone is O=C(c1cc(F)cc(F)c1)c1cccc2nc(NC3CCc4ccccc43)ccc12.
What is the InChIKey of (3,5-difluorophenyl)-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]methanone?
The InChIKey is UJNAOYQYDDJMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N2O/c26-17-12-16(13-18(27)14-17)25(30)21-6-3-7-22-20(21)9-11-24(28-22)29-23-10-8-15-4-1-2-5-19(15)23/h1-7,9,11-14,23H,8,10H2,(H,28,29).
What are the key properties of (3,5-difluorophenyl)-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]methanone?
(3,5-difluorophenyl)-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]methanone has a molecular weight of 400.43 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]methanone is sourced from PubChem (CID 77225077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).