1-[3-[(1-hydroxypropan-2-ylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol

C19H27N3O2 — CID 45167308

IUPAC1-[3-[(1-hydroxypropan-2-ylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol
SMILESCc1ccc2cc(CNC(C)CO)c(N3CCC(O)CC3)nc2c1
InChIInChI=1S/C19H27N3O2/c1-13-3-4-15-10-16(11-20-14(2)12-23)19(21-18(15)9-13)22-7-5-17(24)6-8-22/h3-4,9-10,14,17,20,23-24H,5-8,11-12H2,1-2H3
InChIKeyFLQDKOKKVHCBSR-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.97
Rot. Bonds5

About 1-[3-[(1-hydroxypropan-2-ylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol

1-[3-[(1-hydroxypropan-2-ylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol (PubChem CID 45167308) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[3-[(1-hydroxypropan-2-ylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[(1-hydroxypropan-2-ylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol
PubChem CID45167308
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[3-[(1-hydroxypropan-2-ylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol
SMILESCc1ccc2cc(CNC(C)CO)c(N3CCC(O)CC3)nc2c1
InChIInChI=1S/C19H27N3O2/c1-13-3-4-15-10-16(11-20-14(2)12-23)19(21-18(15)9-13)22-7-5-17(24)6-8-22/h3-4,9-10,14,17,20,23-24H,5-8,11-12H2,1-2H3
InChIKeyFLQDKOKKVHCBSR-UHFFFAOYSA-N
XLogP1.97
TPSA68.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-hydroxypropan-2-ylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[3-[(1-hydroxypropan-2-ylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol (CID 45167308) is 1-[3-[(1-hydroxypropan-2-ylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[(1-hydroxypropan-2-ylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[3-[(1-hydroxypropan-2-ylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol is Cc1ccc2cc(CNC(C)CO)c(N3CCC(O)CC3)nc2c1.
What is the InChIKey of 1-[3-[(1-hydroxypropan-2-ylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol?
The InChIKey is FLQDKOKKVHCBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13-3-4-15-10-16(11-20-14(2)12-23)19(21-18(15)9-13)22-7-5-17(24)6-8-22/h3-4,9-10,14,17,20,23-24H,5-8,11-12H2,1-2H3.
What are the key properties of 1-[3-[(1-hydroxypropan-2-ylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol?
1-[3-[(1-hydroxypropan-2-ylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol has a molecular weight of 329.44 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-hydroxypropan-2-ylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol is sourced from PubChem (CID 45167308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).