(3S)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-amine

C16H15Cl2N5 — CID 162750916

IUPAC(3S)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(c2cc(-n3ccnc3)c3ccc(Cl)c(Cl)c3n2)C1
InChIInChI=1S/C16H15Cl2N5/c17-12-2-1-11-13(23-6-4-20-9-23)7-14(21-16(11)15(12)18)22-5-3-10(19)8-22/h1-2,4,6-7,9-10H,3,5,8,19H2/t10-/m0/s1
InChIKeyFBLOTJNRVGTUFT-JTQLQIEISA-N
MW348.24 g/mol
LogP3.26
Rot. Bonds2

About (3S)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-amine

(3S)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-amine (PubChem CID 162750916) has the molecular formula C16H15Cl2N5 and a molecular weight of 348.24 g/mol. Its IUPAC name is (3S)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-amine
PubChem CID162750916
Molecular FormulaC16H15Cl2N5
Molecular Weight348.24 g/mol
Exact Mass347.07
IUPAC Name(3S)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(c2cc(-n3ccnc3)c3ccc(Cl)c(Cl)c3n2)C1
InChIInChI=1S/C16H15Cl2N5/c17-12-2-1-11-13(23-6-4-20-9-23)7-14(21-16(11)15(12)18)22-5-3-10(19)8-22/h1-2,4,6-7,9-10H,3,5,8,19H2/t10-/m0/s1
InChIKeyFBLOTJNRVGTUFT-JTQLQIEISA-N
XLogP3.26
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)piperidin-3-amine
CID 169001726
7,8-dichloro-2-[(3R)-3-fluoropyrrolidin-1-yl]-4-imidazol-1-ylquinoline
CID 174164707
[1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-yl]methanesulfonamide
CID 162751460
(3S)-1-(8-bromo-7-chloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-ol
CID 174164774
N-[(3R)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-yl]benzamide
CID 174164712
4-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-2-methoxycarbonylpiperazine-1-carboxylic acid
CID 172749227
1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-hydroxypyrrolidine-2-carboxylic acid
CID 175441445
methyl (2R,3S)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-fluoropyrrolidine-2-carboxylate
CID 162750893
methyl (2R,3R)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-fluoropyrrolidine-2-carboxylate
CID 162750287
8-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 167396104
7,8-dichloro-2-(2,3-dihydroindol-1-yl)-4-imidazol-1-ylquinoline
CID 174164742
(2S,4R)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-4-methylpyrrolidine-2-carboxylic acid
CID 162750282

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-amine (CID 162750916) is (3S)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-amine is N[C@H]1CCN(c2cc(-n3ccnc3)c3ccc(Cl)c(Cl)c3n2)C1.
What is the InChIKey of (3S)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-amine?
The InChIKey is FBLOTJNRVGTUFT-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15Cl2N5/c17-12-2-1-11-13(23-6-4-20-9-23)7-14(21-16(11)15(12)18)22-5-3-10(19)8-22/h1-2,4,6-7,9-10H,3,5,8,19H2/t10-/m0/s1.
What are the key properties of (3S)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-amine?
(3S)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-amine has a molecular weight of 348.24 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 162750916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).