N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-fluorobenzenecarboximidoyl)quinolin-2-amine

C25H20FN3 — CID 86620841

IUPACN-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-fluorobenzenecarboximidoyl)quinolin-2-amine
SMILES[H]/N=C(\c1ccc(F)cc1)c1cccc2nc(N[C@@H]3CCc4ccccc43)ccc12
InChIInChI=1S/C25H20FN3/c26-18-11-8-17(9-12-18)25(27)21-6-3-7-22-20(21)13-15-24(28-22)29-23-14-10-16-4-1-2-5-19(16)23/h1-9,11-13,15,23,27H,10,14H2,(H,28,29)/b27-25+/t23-/m1/s1
InChIKeyQBGFTRCNIWTLNS-BYWRHQNTSA-N
MW381.45 g/mol
LogP5.89
Rot. Bonds4

About N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-fluorobenzenecarboximidoyl)quinolin-2-amine

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-fluorobenzenecarboximidoyl)quinolin-2-amine (PubChem CID 86620841) has the molecular formula C25H20FN3 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-fluorobenzenecarboximidoyl)quinolin-2-amine.

Molecular Properties

Compound NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-fluorobenzenecarboximidoyl)quinolin-2-amine
PubChem CID86620841
Molecular FormulaC25H20FN3
Molecular Weight381.45 g/mol
Exact Mass381.16
IUPAC NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-fluorobenzenecarboximidoyl)quinolin-2-amine
SMILES[H]/N=C(\c1ccc(F)cc1)c1cccc2nc(N[C@@H]3CCc4ccccc43)ccc12
InChIInChI=1S/C25H20FN3/c26-18-11-8-17(9-12-18)25(27)21-6-3-7-22-20(21)13-15-24(28-22)29-23-14-10-16-4-1-2-5-19(16)23/h1-9,11-13,15,23,27H,10,14H2,(H,28,29)/b27-25+/t23-/m1/s1
InChIKeyQBGFTRCNIWTLNS-BYWRHQNTSA-N
XLogP5.89
TPSA48.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.45
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-(benzenecarboximidoyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]quinolin-2-amine
CID 25016238
(3,5-difluorophenyl)-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]methanone
CID 77225077
5-(2-chlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]quinolin-2-amine
CID 25016500
N-(2,3-dihydro-1H-inden-1-yl)-6-fluoropyridin-2-amine
CID 115591065
2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-7-yl)quinoline-2,5-diamine
CID 25016501
2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-imidazol-2-ylmethyl)quinoline-2,5-diamine
CID 67096011
N-(2,3-dihydro-1H-inden-1-yl)-5-[(3-methoxyphenyl)methoxy]quinolin-2-amine
CID 67096058
N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 74953644
N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methoxyphenyl)acetamide
CID 74953808
6-bromo-N-(2,3-dihydro-1H-inden-1-yl)quinolin-2-amine
CID 68914486
6-(aminomethyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]quinolin-2-amine
CID 68628477
1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-phenylurea
CID 74953904

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-fluorobenzenecarboximidoyl)quinolin-2-amine?
The IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-fluorobenzenecarboximidoyl)quinolin-2-amine (CID 86620841) is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-fluorobenzenecarboximidoyl)quinolin-2-amine.
What is the SMILES notation for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-fluorobenzenecarboximidoyl)quinolin-2-amine?
The canonical SMILES for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-fluorobenzenecarboximidoyl)quinolin-2-amine is [H]/N=C(\c1ccc(F)cc1)c1cccc2nc(N[C@@H]3CCc4ccccc43)ccc12.
What is the InChIKey of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-fluorobenzenecarboximidoyl)quinolin-2-amine?
The InChIKey is QBGFTRCNIWTLNS-BYWRHQNTSA-N. The full InChI is InChI=1S/C25H20FN3/c26-18-11-8-17(9-12-18)25(27)21-6-3-7-22-20(21)13-15-24(28-22)29-23-14-10-16-4-1-2-5-19(16)23/h1-9,11-13,15,23,27H,10,14H2,(H,28,29)/b27-25+/t23-/m1/s1.
What are the key properties of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-fluorobenzenecarboximidoyl)quinolin-2-amine?
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-fluorobenzenecarboximidoyl)quinolin-2-amine has a molecular weight of 381.45 g/mol, XLogP of 5.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-fluorobenzenecarboximidoyl)quinolin-2-amine is sourced from PubChem (CID 86620841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).