(1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)piperidin-1-yl]ethanol

C26H33N5O2 — CID 10204096

IUPAC(1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)piperidin-1-yl]ethanol
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NCc4ccc5c(n4)NCCC5)CC3)c2c1
InChIInChI=1S/C26H33N5O2/c1-33-21-6-7-24-23(15-21)22(8-12-27-24)25(32)17-31-13-9-19(10-14-31)29-16-20-5-4-18-3-2-11-28-26(18)30-20/h4-8,12,15,19,25,29,32H,2-3,9-11,13-14,16-17H2,1H3,(H,28,30)/t25-/m0/s1
InChIKeyRBBMMMJYPLTDJJ-VWLOTQADSA-N
MW447.58 g/mol
LogP3.28
Rot. Bonds7

About (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)piperidin-1-yl]ethanol

(1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)piperidin-1-yl]ethanol (PubChem CID 10204096) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)piperidin-1-yl]ethanol
PubChem CID10204096
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name(1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)piperidin-1-yl]ethanol
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NCc4ccc5c(n4)NCCC5)CC3)c2c1
InChIInChI=1S/C26H33N5O2/c1-33-21-6-7-24-23(15-21)22(8-12-27-24)25(32)17-31-13-9-19(10-14-31)29-16-20-5-4-18-3-2-11-28-26(18)30-20/h4-8,12,15,19,25,29,32H,2-3,9-11,13-14,16-17H2,1H3,(H,28,30)/t25-/m0/s1
InChIKeyRBBMMMJYPLTDJJ-VWLOTQADSA-N
XLogP3.28
TPSA82.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)piperidin-1-yl]ethanol?
The IUPAC name of (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)piperidin-1-yl]ethanol (CID 10204096) is (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)piperidin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)piperidin-1-yl]ethanol?
The canonical SMILES for (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)piperidin-1-yl]ethanol is COc1ccc2nccc([C@@H](O)CN3CCC(NCc4ccc5c(n4)NCCC5)CC3)c2c1.
What is the InChIKey of (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)piperidin-1-yl]ethanol?
The InChIKey is RBBMMMJYPLTDJJ-VWLOTQADSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-33-21-6-7-24-23(15-21)22(8-12-27-24)25(32)17-31-13-9-19(10-14-31)29-16-20-5-4-18-3-2-11-28-26(18)30-20/h4-8,12,15,19,25,29,32H,2-3,9-11,13-14,16-17H2,1H3,(H,28,30)/t25-/m0/s1.
What are the key properties of (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)piperidin-1-yl]ethanol?
(1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)piperidin-1-yl]ethanol has a molecular weight of 447.58 g/mol, XLogP of 3.28, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)piperidin-1-yl]ethanol is sourced from PubChem (CID 10204096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).