7-chloro-N-[[4-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine

C24H23ClFN5 — CID 71449218

IUPAC7-chloro-N-[[4-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine
SMILESFc1ccc(-c2nc(CNc3ccnc4cc(Cl)ccc34)[nH]c2CN2CCCC2)cc1
InChIInChI=1S/C24H23ClFN5/c25-17-5-8-19-20(9-10-27-21(19)13-17)28-14-23-29-22(15-31-11-1-2-12-31)24(30-23)16-3-6-18(26)7-4-16/h3-10,13H,1-2,11-12,14-15H2,(H,27,28)(H,29,30)
InChIKeyBNKVHZDUABEEIG-UHFFFAOYSA-N
MW435.93 g/mol
LogP5.63
Rot. Bonds6

About 7-chloro-N-[[4-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine

7-chloro-N-[[4-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine (PubChem CID 71449218) has the molecular formula C24H23ClFN5 and a molecular weight of 435.93 g/mol. Its IUPAC name is 7-chloro-N-[[4-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[[4-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine
PubChem CID71449218
Molecular FormulaC24H23ClFN5
Molecular Weight435.93 g/mol
Exact Mass435.16
IUPAC Name7-chloro-N-[[4-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine
SMILESFc1ccc(-c2nc(CNc3ccnc4cc(Cl)ccc34)[nH]c2CN2CCCC2)cc1
InChIInChI=1S/C24H23ClFN5/c25-17-5-8-19-20(9-10-27-21(19)13-17)28-14-23-29-22(15-31-11-1-2-12-31)24(30-23)16-3-6-18(26)7-4-16/h3-10,13H,1-2,11-12,14-15H2,(H,27,28)(H,29,30)
InChIKeyBNKVHZDUABEEIG-UHFFFAOYSA-N
XLogP5.63
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.93
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N1-(7-chloroquinolin-4-yl)-N3-(6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl)propane-1,3-diamine
CID 70684938
2,4-Disubstituted Pyrimidine 2i
CID 5329422
7-butyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538794
2-(4-chlorophenyl)-3H-imidazo[4,5-c]quinoline
CID 10540663
2-Phenylimidazo[4,5-c]quinoline
CID 10824264
4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol-4-ylmethyl)amino]quinoline-3-carbonitrile
CID 16066845
8-chloro-4-(3-chloro-4-fluorophenylamino)-6-((2-ethyl-5-methyl-1H-imidazol-4-yl)methylamino)quinoline-3-carbonitrile
CID 17758015
4-[(3-chloro-4-fluorophenyl)amino]-8-fluoro-6-[(1H-imidazol-4-ylmethyl)amino]quinoline-3-carbonitrile
CID 17758240
8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-({[4-(propan-2-yl)-1H-imidazol-5-yl]methyl}amino)quinoline-3-carbonitrile
CID 17758466
8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-{[(4-ethyl-1H-imidazol-5-yl)methyl]amino}quinoline-3-carbonitrile
CID 17758467
8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-{[(2,5-dimethyl-1H-imidazol-4-yl)methyl]amino}quinoline-3-carbonitrile
CID 17758575
8-chloro-4-(3-chloro-4-fluoroanilino)-6-(1H-imidazol-5-ylmethylamino)-3-quinolinecarbonitrile
CID 17759555

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[[4-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[[4-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine (CID 71449218) is 7-chloro-N-[[4-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[[4-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[[4-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine is Fc1ccc(-c2nc(CNc3ccnc4cc(Cl)ccc34)[nH]c2CN2CCCC2)cc1.
What is the InChIKey of 7-chloro-N-[[4-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine?
The InChIKey is BNKVHZDUABEEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN5/c25-17-5-8-19-20(9-10-27-21(19)13-17)28-14-23-29-22(15-31-11-1-2-12-31)24(30-23)16-3-6-18(26)7-4-16/h3-10,13H,1-2,11-12,14-15H2,(H,27,28)(H,29,30).
What are the key properties of 7-chloro-N-[[4-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine?
7-chloro-N-[[4-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine has a molecular weight of 435.93 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[[4-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine is sourced from PubChem (CID 71449218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).