(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone

C20H22N4O2 — CID 18132704

IUPAC(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)c1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C20H22N4O2/c1-13(2)24-19-15(12-22-24)9-16(11-21-19)20(25)23-8-4-5-14-10-17(26-3)6-7-18(14)23/h6-7,9-13H,4-5,8H2,1-3H3
InChIKeyVQYYZQYURDBBBC-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.61
Rot. Bonds3

About (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone

(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone (PubChem CID 18132704) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
PubChem CID18132704
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)c1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C20H22N4O2/c1-13(2)24-19-15(12-22-24)9-16(11-21-19)20(25)23-8-4-5-14-10-17(26-3)6-7-18(14)23/h6-7,9-13H,4-5,8H2,1-3H3
InChIKeyVQYYZQYURDBBBC-UHFFFAOYSA-N
XLogP3.61
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(6-fluoro-3-pyridinyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63979492
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 18122068
(2R)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenoxy)propan-1-one
CID 30257325
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
CID 17480877
N-[(4-methoxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24641346
3,4-dihydro-1H-isoquinolin-2-yl-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 17461214
(5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone
CID 52795317
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
5-(6-methoxy-3-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid
CID 122111138
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 46543036
7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 34366561

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone?
The IUPAC name of (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone (CID 18132704) is (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone.
What is the SMILES notation for (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone?
The canonical SMILES for (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone is COc1ccc2c(c1)CCCN2C(=O)c1cnc2c(cnn2C(C)C)c1.
What is the InChIKey of (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone?
The InChIKey is VQYYZQYURDBBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13(2)24-19-15(12-22-24)9-16(11-21-19)20(25)23-8-4-5-14-10-17(26-3)6-7-18(14)23/h6-7,9-13H,4-5,8H2,1-3H3.
What are the key properties of (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone?
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone has a molecular weight of 350.42 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone is sourced from PubChem (CID 18132704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).