N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]quinolin-5-amine

C23H17ClFN3 — CID 118211354

IUPACN-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]quinolin-5-amine
SMILESC=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1cccc2ncccc12
InChIInChI=1S/C23H17ClFN3/c1-14(2)18-13-27-22(17-11-15(24)8-9-19(17)25)12-23(18)28-21-7-3-6-20-16(21)5-4-10-26-20/h3-13H,1H2,2H3,(H,27,28)
InChIKeyXDKMHPURFXZDOH-UHFFFAOYSA-N
MW389.86 g/mol
LogP6.87
Rot. Bonds4

About N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]quinolin-5-amine

N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]quinolin-5-amine (PubChem CID 118211354) has the molecular formula C23H17ClFN3 and a molecular weight of 389.86 g/mol. Its IUPAC name is N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]quinolin-5-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]quinolin-5-amine
PubChem CID118211354
Molecular FormulaC23H17ClFN3
Molecular Weight389.86 g/mol
Exact Mass389.11
IUPAC NameN-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]quinolin-5-amine
SMILESC=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1cccc2ncccc12
InChIInChI=1S/C23H17ClFN3/c1-14(2)18-13-27-22(17-11-15(24)8-9-19(17)25)12-23(18)28-21-7-3-6-20-16(21)5-4-10-26-20/h3-13H,1H2,2H3,(H,27,28)
InChIKeyXDKMHPURFXZDOH-UHFFFAOYSA-N
XLogP6.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.86
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 118211560
4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(1-hydroxybutan-2-yl)pyridine-3-carboxamide
CID 118211840
4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(oxolan-3-yl)pyridine-3-carboxamide
CID 118211459
5-chloro-2-(quinolin-5-ylamino)benzonitrile
CID 62493218
2,6-dichloro-N-quinolin-5-ylquinolin-4-amine
CID 138392376
4-chloro-2-quinolin-5-ylbenzoic acid
CID 107989819
2-chloro-1-N-quinolin-5-ylbenzene-1,4-diamine
CID 43148682
(2R)-2-aminopropan-1-ol;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate;trimethylalumane
CID 159406352
methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-3-carboxylate
CID 53372324
N-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54670128
N-[2-(2,5-difluorophenyl)-4-pyridinyl]quinolin-4-amine
CID 164628039
4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate
CID 159094398

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]quinolin-5-amine?
The IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]quinolin-5-amine (CID 118211354) is N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]quinolin-5-amine.
What is the SMILES notation for N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]quinolin-5-amine?
The canonical SMILES for N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]quinolin-5-amine is C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1cccc2ncccc12.
What is the InChIKey of N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]quinolin-5-amine?
The InChIKey is XDKMHPURFXZDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3/c1-14(2)18-13-27-22(17-11-15(24)8-9-19(17)25)12-23(18)28-21-7-3-6-20-16(21)5-4-10-26-20/h3-13H,1H2,2H3,(H,27,28).
What are the key properties of N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]quinolin-5-amine?
N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]quinolin-5-amine has a molecular weight of 389.86 g/mol, XLogP of 6.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]quinolin-5-amine is sourced from PubChem (CID 118211354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).