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

C25H26ClN5 — CID 71449219

IUPAC7-chloro-N-[[1-methyl-4-phenyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-yl]methyl]quinolin-4-amine
SMILESCn1c(CNc2ccnc3cc(Cl)ccc23)nc(-c2ccccc2)c1CN1CCCC1
InChIInChI=1S/C25H26ClN5/c1-30-23(17-31-13-5-6-14-31)25(18-7-3-2-4-8-18)29-24(30)16-28-21-11-12-27-22-15-19(26)9-10-20(21)22/h2-4,7-12,15H,5-6,13-14,16-17H2,1H3,(H,27,28)
InChIKeyAAWUYTWRCPGEKD-UHFFFAOYSA-N
MW431.97 g/mol
LogP5.50
Rot. Bonds6

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

7-chloro-N-[[1-methyl-4-phenyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-yl]methyl]quinolin-4-amine (PubChem CID 71449219) has the molecular formula C25H26ClN5 and a molecular weight of 431.97 g/mol. Its IUPAC name is 7-chloro-N-[[1-methyl-4-phenyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-yl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[[1-methyl-4-phenyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-yl]methyl]quinolin-4-amine
PubChem CID71449219
Molecular FormulaC25H26ClN5
Molecular Weight431.97 g/mol
Exact Mass431.19
IUPAC Name7-chloro-N-[[1-methyl-4-phenyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-yl]methyl]quinolin-4-amine
SMILESCn1c(CNc2ccnc3cc(Cl)ccc23)nc(-c2ccccc2)c1CN1CCCC1
InChIInChI=1S/C25H26ClN5/c1-30-23(17-31-13-5-6-14-31)25(18-7-3-2-4-8-18)29-24(30)16-28-21-11-12-27-22-15-19(26)9-10-20(21)22/h2-4,7-12,15H,5-6,13-14,16-17H2,1H3,(H,27,28)
InChIKeyAAWUYTWRCPGEKD-UHFFFAOYSA-N
XLogP5.50
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.97
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[[1-methyl-4-phenyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-yl]methyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[[1-methyl-4-phenyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-yl]methyl]quinolin-4-amine (CID 71449219) is 7-chloro-N-[[1-methyl-4-phenyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-yl]methyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[[1-methyl-4-phenyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-yl]methyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[[1-methyl-4-phenyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-yl]methyl]quinolin-4-amine is Cn1c(CNc2ccnc3cc(Cl)ccc23)nc(-c2ccccc2)c1CN1CCCC1.
What is the InChIKey of 7-chloro-N-[[1-methyl-4-phenyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-yl]methyl]quinolin-4-amine?
The InChIKey is AAWUYTWRCPGEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5/c1-30-23(17-31-13-5-6-14-31)25(18-7-3-2-4-8-18)29-24(30)16-28-21-11-12-27-22-15-19(26)9-10-20(21)22/h2-4,7-12,15H,5-6,13-14,16-17H2,1H3,(H,27,28).
What are the key properties of 7-chloro-N-[[1-methyl-4-phenyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-yl]methyl]quinolin-4-amine?
7-chloro-N-[[1-methyl-4-phenyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-yl]methyl]quinolin-4-amine has a molecular weight of 431.97 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[[1-methyl-4-phenyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-yl]methyl]quinolin-4-amine is sourced from PubChem (CID 71449219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).