7-chloro-N-[[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]methyl]quinolin-4-amine

C21H20ClN5 — CID 71454607

IUPAC7-chloro-N-[[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]methyl]quinolin-4-amine
SMILESCN(C)c1ccc(-c2cnc(CNc3ccnc4cc(Cl)ccc34)[nH]2)cc1
InChIInChI=1S/C21H20ClN5/c1-27(2)16-6-3-14(4-7-16)20-12-25-21(26-20)13-24-18-9-10-23-19-11-15(22)5-8-17(18)19/h3-12H,13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyDBSMSHMVRFAZST-UHFFFAOYSA-N
MW377.88 g/mol
LogP4.96
Rot. Bonds5

About 7-chloro-N-[[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]methyl]quinolin-4-amine

7-chloro-N-[[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]methyl]quinolin-4-amine (PubChem CID 71454607) has the molecular formula C21H20ClN5 and a molecular weight of 377.88 g/mol. Its IUPAC name is 7-chloro-N-[[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]methyl]quinolin-4-amine
PubChem CID71454607
Molecular FormulaC21H20ClN5
Molecular Weight377.88 g/mol
Exact Mass377.14
IUPAC Name7-chloro-N-[[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]methyl]quinolin-4-amine
SMILESCN(C)c1ccc(-c2cnc(CNc3ccnc4cc(Cl)ccc34)[nH]2)cc1
InChIInChI=1S/C21H20ClN5/c1-27(2)16-6-3-14(4-7-16)20-12-25-21(26-20)13-24-18-9-10-23-19-11-15(22)5-8-17(18)19/h3-12H,13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyDBSMSHMVRFAZST-UHFFFAOYSA-N
XLogP4.96
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]methyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]methyl]quinolin-4-amine (CID 71454607) is 7-chloro-N-[[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]methyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]methyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]methyl]quinolin-4-amine is CN(C)c1ccc(-c2cnc(CNc3ccnc4cc(Cl)ccc34)[nH]2)cc1.
What is the InChIKey of 7-chloro-N-[[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]methyl]quinolin-4-amine?
The InChIKey is DBSMSHMVRFAZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5/c1-27(2)16-6-3-14(4-7-16)20-12-25-21(26-20)13-24-18-9-10-23-19-11-15(22)5-8-17(18)19/h3-12H,13H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 7-chloro-N-[[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]methyl]quinolin-4-amine?
7-chloro-N-[[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]methyl]quinolin-4-amine has a molecular weight of 377.88 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]methyl]quinolin-4-amine is sourced from PubChem (CID 71454607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).