7-chloro-N-[2-[4-(dipyridin-2-ylmethylamino)piperidin-1-yl]ethyl]quinolin-4-amine

C27H29ClN6 — CID 25208011

IUPAC7-chloro-N-[2-[4-(dipyridin-2-ylmethylamino)piperidin-1-yl]ethyl]quinolin-4-amine
SMILESClc1ccc2c(NCCN3CCC(NC(c4ccccn4)c4ccccn4)CC3)ccnc2c1
InChIInChI=1S/C27H29ClN6/c28-20-7-8-22-23(9-14-31-26(22)19-20)32-15-18-34-16-10-21(11-17-34)33-27(24-5-1-3-12-29-24)25-6-2-4-13-30-25/h1-9,12-14,19,21,27,33H,10-11,15-18H2,(H,31,32)
InChIKeyKQZFELGIBCDJKD-UHFFFAOYSA-N
MW473.02 g/mol
LogP4.93
Rot. Bonds8

About 7-chloro-N-[2-[4-(dipyridin-2-ylmethylamino)piperidin-1-yl]ethyl]quinolin-4-amine

7-chloro-N-[2-[4-(dipyridin-2-ylmethylamino)piperidin-1-yl]ethyl]quinolin-4-amine (PubChem CID 25208011) has the molecular formula C27H29ClN6 and a molecular weight of 473.02 g/mol. Its IUPAC name is 7-chloro-N-[2-[4-(dipyridin-2-ylmethylamino)piperidin-1-yl]ethyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[2-[4-(dipyridin-2-ylmethylamino)piperidin-1-yl]ethyl]quinolin-4-amine
PubChem CID25208011
Molecular FormulaC27H29ClN6
Molecular Weight473.02 g/mol
Exact Mass472.21
IUPAC Name7-chloro-N-[2-[4-(dipyridin-2-ylmethylamino)piperidin-1-yl]ethyl]quinolin-4-amine
SMILESClc1ccc2c(NCCN3CCC(NC(c4ccccn4)c4ccccn4)CC3)ccnc2c1
InChIInChI=1S/C27H29ClN6/c28-20-7-8-22-23(9-14-31-26(22)19-20)32-15-18-34-16-10-21(11-17-34)33-27(24-5-1-3-12-29-24)25-6-2-4-13-30-25/h1-9,12-14,19,21,27,33H,10-11,15-18H2,(H,31,32)
InChIKeyKQZFELGIBCDJKD-UHFFFAOYSA-N
XLogP4.93
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.02
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 2719
CID 2719
CID 3652
CID 3652
CID 122262
CID 122262
CID 95478
CID 95478
CID 5708341
CID 5708341
CID 83818
CID 83818
CID 94711
CID 94711
CID 122672
CID 122672
CID 91441
CID 91441
CID 66553
CID 66553
CID 408190
CID 408190
CID 444810
CID 444810

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-[4-(dipyridin-2-ylmethylamino)piperidin-1-yl]ethyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[2-[4-(dipyridin-2-ylmethylamino)piperidin-1-yl]ethyl]quinolin-4-amine (CID 25208011) is 7-chloro-N-[2-[4-(dipyridin-2-ylmethylamino)piperidin-1-yl]ethyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[2-[4-(dipyridin-2-ylmethylamino)piperidin-1-yl]ethyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[2-[4-(dipyridin-2-ylmethylamino)piperidin-1-yl]ethyl]quinolin-4-amine is Clc1ccc2c(NCCN3CCC(NC(c4ccccn4)c4ccccn4)CC3)ccnc2c1.
What is the InChIKey of 7-chloro-N-[2-[4-(dipyridin-2-ylmethylamino)piperidin-1-yl]ethyl]quinolin-4-amine?
The InChIKey is KQZFELGIBCDJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN6/c28-20-7-8-22-23(9-14-31-26(22)19-20)32-15-18-34-16-10-21(11-17-34)33-27(24-5-1-3-12-29-24)25-6-2-4-13-30-25/h1-9,12-14,19,21,27,33H,10-11,15-18H2,(H,31,32).
What are the key properties of 7-chloro-N-[2-[4-(dipyridin-2-ylmethylamino)piperidin-1-yl]ethyl]quinolin-4-amine?
7-chloro-N-[2-[4-(dipyridin-2-ylmethylamino)piperidin-1-yl]ethyl]quinolin-4-amine has a molecular weight of 473.02 g/mol, XLogP of 4.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-[4-(dipyridin-2-ylmethylamino)piperidin-1-yl]ethyl]quinolin-4-amine is sourced from PubChem (CID 25208011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).