1-[4-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

C21H26N6O3 — CID 110222568

IUPAC1-[4-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCOc1cc2cc(N)c(C3CCN(C(=O)C(C)n4cncn4)CC3)nc2cc1OC
InChIInChI=1S/C21H26N6O3/c1-13(27-12-23-11-24-27)21(28)26-6-4-14(5-7-26)20-16(22)8-15-9-18(29-2)19(30-3)10-17(15)25-20/h8-14H,4-7,22H2,1-3H3
InChIKeyBVGTXOZAXFZKEZ-UHFFFAOYSA-N
MW410.48 g/mol
LogP2.39
Rot. Bonds5

About 1-[4-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

1-[4-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 110222568) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is 1-[4-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID110222568
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name1-[4-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCOc1cc2cc(N)c(C3CCN(C(=O)C(C)n4cncn4)CC3)nc2cc1OC
InChIInChI=1S/C21H26N6O3/c1-13(27-12-23-11-24-27)21(28)26-6-4-14(5-7-26)20-16(22)8-15-9-18(29-2)19(30-3)10-17(15)25-20/h8-14H,4-7,22H2,1-3H3
InChIKeyBVGTXOZAXFZKEZ-UHFFFAOYSA-N
XLogP2.39
TPSA108.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 36991296
1-[(3R)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one
CID 92610986
1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 92552858
1-(3-aminopyrrolidin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 62067807
(2S)-1-[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 95539303
(2S)-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 94624231
(2R)-1-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 95126734
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 79410838
methyl 1-[2-(1,2,4-triazol-1-yl)propanoyl]pyrrolidine-3-carboxylate
CID 112733819
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 79029995
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 66262154
(2S)-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 164636933

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one (CID 110222568) is 1-[4-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one is COc1cc2cc(N)c(C3CCN(C(=O)C(C)n4cncn4)CC3)nc2cc1OC.
What is the InChIKey of 1-[4-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is BVGTXOZAXFZKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-13(27-12-23-11-24-27)21(28)26-6-4-14(5-7-26)20-16(22)8-15-9-18(29-2)19(30-3)10-17(15)25-20/h8-14H,4-7,22H2,1-3H3.
What are the key properties of 1-[4-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
1-[4-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 410.48 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 110222568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).