(3R)-1-[3-[(4-ethyl-1,4-diazepan-1-yl)methyl]-6-methylquinolin-2-yl]piperidin-3-ol

C23H34N4O — CID 99962325

IUPAC(3R)-1-[3-[(4-ethyl-1,4-diazepan-1-yl)methyl]-6-methylquinolin-2-yl]piperidin-3-ol
SMILESCCN1CCCN(Cc2cc3cc(C)ccc3nc2N2CCC[C@@H](O)C2)CC1
InChIInChI=1S/C23H34N4O/c1-3-25-9-5-10-26(13-12-25)16-20-15-19-14-18(2)7-8-22(19)24-23(20)27-11-4-6-21(28)17-27/h7-8,14-15,21,28H,3-6,9-13,16-17H2,1-2H3/t21-/m1/s1
InChIKeyZKDRXIRRXBNOBY-OAQYLSRUSA-N
MW382.55 g/mol
LogP3.03
Rot. Bonds4

About (3R)-1-[3-[(4-ethyl-1,4-diazepan-1-yl)methyl]-6-methylquinolin-2-yl]piperidin-3-ol

(3R)-1-[3-[(4-ethyl-1,4-diazepan-1-yl)methyl]-6-methylquinolin-2-yl]piperidin-3-ol (PubChem CID 99962325) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is (3R)-1-[3-[(4-ethyl-1,4-diazepan-1-yl)methyl]-6-methylquinolin-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[3-[(4-ethyl-1,4-diazepan-1-yl)methyl]-6-methylquinolin-2-yl]piperidin-3-ol
PubChem CID99962325
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC Name(3R)-1-[3-[(4-ethyl-1,4-diazepan-1-yl)methyl]-6-methylquinolin-2-yl]piperidin-3-ol
SMILESCCN1CCCN(Cc2cc3cc(C)ccc3nc2N2CCC[C@@H](O)C2)CC1
InChIInChI=1S/C23H34N4O/c1-3-25-9-5-10-26(13-12-25)16-20-15-19-14-18(2)7-8-22(19)24-23(20)27-11-4-6-21(28)17-27/h7-8,14-15,21,28H,3-6,9-13,16-17H2,1-2H3/t21-/m1/s1
InChIKeyZKDRXIRRXBNOBY-OAQYLSRUSA-N
XLogP3.03
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[3-[(4-ethyl-1,4-diazepan-1-yl)methyl]-6-methylquinolin-2-yl]piperidin-3-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[6-methyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinolin-2-yl]piperidin-3-ol
CID 70785584
(3R)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol
CID 95871774
(3R)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol
CID 95861414
1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol
CID 70718622
(3S)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol
CID 95861413
(3R)-1-[6-methyl-3-[[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]methyl]quinolin-2-yl]piperidin-3-ol
CID 95874018
4-[3-[(4-ethylpiperazin-1-yl)methyl]-7-methylquinolin-2-yl]morpholine
CID 91761902
1-[3-(methylaminomethyl)quinolin-2-yl]piperidin-3-ol
CID 61434840
(3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol
CID 95034913
N-[[2-(3-hydroxypiperidin-1-yl)-7-methylquinolin-3-yl]methyl]-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 45240414
6-ethoxy-2-[(3R)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile
CID 1454374
1-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]pyrrolidin-3-ol
CID 62941726

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-[(4-ethyl-1,4-diazepan-1-yl)methyl]-6-methylquinolin-2-yl]piperidin-3-ol?
The IUPAC name of (3R)-1-[3-[(4-ethyl-1,4-diazepan-1-yl)methyl]-6-methylquinolin-2-yl]piperidin-3-ol (CID 99962325) is (3R)-1-[3-[(4-ethyl-1,4-diazepan-1-yl)methyl]-6-methylquinolin-2-yl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[3-[(4-ethyl-1,4-diazepan-1-yl)methyl]-6-methylquinolin-2-yl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[3-[(4-ethyl-1,4-diazepan-1-yl)methyl]-6-methylquinolin-2-yl]piperidin-3-ol is CCN1CCCN(Cc2cc3cc(C)ccc3nc2N2CCC[C@@H](O)C2)CC1.
What is the InChIKey of (3R)-1-[3-[(4-ethyl-1,4-diazepan-1-yl)methyl]-6-methylquinolin-2-yl]piperidin-3-ol?
The InChIKey is ZKDRXIRRXBNOBY-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H34N4O/c1-3-25-9-5-10-26(13-12-25)16-20-15-19-14-18(2)7-8-22(19)24-23(20)27-11-4-6-21(28)17-27/h7-8,14-15,21,28H,3-6,9-13,16-17H2,1-2H3/t21-/m1/s1.
What are the key properties of (3R)-1-[3-[(4-ethyl-1,4-diazepan-1-yl)methyl]-6-methylquinolin-2-yl]piperidin-3-ol?
(3R)-1-[3-[(4-ethyl-1,4-diazepan-1-yl)methyl]-6-methylquinolin-2-yl]piperidin-3-ol has a molecular weight of 382.55 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-[(4-ethyl-1,4-diazepan-1-yl)methyl]-6-methylquinolin-2-yl]piperidin-3-ol is sourced from PubChem (CID 99962325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).