1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol

C22H29N5O — CID 70718622

IUPAC1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol
SMILESCc1ccc2nc(N3CCCC(O)C3)c(CN(C)Cc3ncc(C)[nH]3)cc2c1
InChIInChI=1S/C22H29N5O/c1-15-6-7-20-17(9-15)10-18(12-26(3)14-21-23-11-16(2)24-21)22(25-20)27-8-4-5-19(28)13-27/h6-7,9-11,19,28H,4-5,8,12-14H2,1-3H3,(H,23,24)
InChIKeyQTEANKYIXQQDGS-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.17
Rot. Bonds5

About 1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol

1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol (PubChem CID 70718622) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol
PubChem CID70718622
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol
SMILESCc1ccc2nc(N3CCCC(O)C3)c(CN(C)Cc3ncc(C)[nH]3)cc2c1
InChIInChI=1S/C22H29N5O/c1-15-6-7-20-17(9-15)10-18(12-26(3)14-21-23-11-16(2)24-21)22(25-20)27-8-4-5-19(28)13-27/h6-7,9-11,19,28H,4-5,8,12-14H2,1-3H3,(H,23,24)
InChIKeyQTEANKYIXQQDGS-UHFFFAOYSA-N
XLogP3.17
TPSA68.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol?
The IUPAC name of 1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol (CID 70718622) is 1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol.
What is the SMILES notation for 1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol?
The canonical SMILES for 1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol is Cc1ccc2nc(N3CCCC(O)C3)c(CN(C)Cc3ncc(C)[nH]3)cc2c1.
What is the InChIKey of 1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol?
The InChIKey is QTEANKYIXQQDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-15-6-7-20-17(9-15)10-18(12-26(3)14-21-23-11-16(2)24-21)22(25-20)27-8-4-5-19(28)13-27/h6-7,9-11,19,28H,4-5,8,12-14H2,1-3H3,(H,23,24).
What are the key properties of 1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol?
1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol has a molecular weight of 379.51 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol is sourced from PubChem (CID 70718622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).