1-[4-[(2,3-dimethylquinolin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol

C20H29N3O2 — CID 133451891

IUPAC1-[4-[(2,3-dimethylquinolin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol
SMILESCOCC(O)CN1CCC(Nc2c(C)c(C)nc3ccccc23)CC1
InChIInChI=1S/C20H29N3O2/c1-14-15(2)21-19-7-5-4-6-18(19)20(14)22-16-8-10-23(11-9-16)12-17(24)13-25-3/h4-7,16-17,24H,8-13H2,1-3H3,(H,21,22)
InChIKeyGMSOGRKFBLSIOR-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.74
Rot. Bonds6

About 1-[4-[(2,3-dimethylquinolin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol

1-[4-[(2,3-dimethylquinolin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol (PubChem CID 133451891) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[4-[(2,3-dimethylquinolin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[4-[(2,3-dimethylquinolin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol
PubChem CID133451891
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-[4-[(2,3-dimethylquinolin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol
SMILESCOCC(O)CN1CCC(Nc2c(C)c(C)nc3ccccc23)CC1
InChIInChI=1S/C20H29N3O2/c1-14-15(2)21-19-7-5-4-6-18(19)20(14)22-16-8-10-23(11-9-16)12-17(24)13-25-3/h4-7,16-17,24H,8-13H2,1-3H3,(H,21,22)
InChIKeyGMSOGRKFBLSIOR-UHFFFAOYSA-N
XLogP2.74
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(2,3-dimethylquinolin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol with MolForge

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Related Compounds

2-{Bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino}ethan-1-ol
CID 11284081
Ethanol, 2-(9-acridinylamino)-
CID 145758
1-Propanol, 3-(9-acridinylamino)-
CID 150655
N1,N1-diethyl-N4-(2-phenyl-4-quinolyl)pentane-1,4-diamine
CID 498058
2-{4-[2-(Trifluoromethyl)quinolin-4-yl]piperazino}ethan-1-ol
CID 2823494
2-((1,2,3,4-Tetrahydroacridin-9-yl)amino)ethanol
CID 661266
4-(4-Morpholinyl)-2-phenylquinoline
CID 227776
2-[4-(1,2,3,4-Tetrahydroacridin-9-ylamino)butyl-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]ethanol
CID 24879256
2-[3-(Acridin-9-ylamino)propyl-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]ethanol
CID 44387830
(2,8-Dimethyl-quinolin-4-yl)-(4-morpholin-4-yl-phenyl)-amine
CID 2791902
2-(Acridin-9-ylamino)-3-phenylpropan-1-ol
CID 3747276
N4-acridin-9-yl-N1,N1-diethylpentane-1,4-diamine
CID 410547

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,3-dimethylquinolin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol?
The IUPAC name of 1-[4-[(2,3-dimethylquinolin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol (CID 133451891) is 1-[4-[(2,3-dimethylquinolin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[4-[(2,3-dimethylquinolin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[4-[(2,3-dimethylquinolin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol is COCC(O)CN1CCC(Nc2c(C)c(C)nc3ccccc23)CC1.
What is the InChIKey of 1-[4-[(2,3-dimethylquinolin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol?
The InChIKey is GMSOGRKFBLSIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14-15(2)21-19-7-5-4-6-18(19)20(14)22-16-8-10-23(11-9-16)12-17(24)13-25-3/h4-7,16-17,24H,8-13H2,1-3H3,(H,21,22).
What are the key properties of 1-[4-[(2,3-dimethylquinolin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol?
1-[4-[(2,3-dimethylquinolin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol has a molecular weight of 343.47 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,3-dimethylquinolin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol is sourced from PubChem (CID 133451891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).