6,7-diethoxy-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]quinolin-4-amine

C23H29N5O2 — CID 86941097

IUPAC6,7-diethoxy-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]quinolin-4-amine
SMILESCCOc1cc2nccc(N(C)CC3CCCN3c3cccnn3)c2cc1OCC
InChIInChI=1S/C23H29N5O2/c1-4-29-21-14-18-19(15-22(21)30-5-2)24-12-10-20(18)27(3)16-17-8-7-13-28(17)23-9-6-11-25-26-23/h6,9-12,14-15,17H,4-5,7-8,13,16H2,1-3H3
InChIKeyBFYKOZWHPOPMDU-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.93
Rot. Bonds8

About 6,7-diethoxy-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]quinolin-4-amine

6,7-diethoxy-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]quinolin-4-amine (PubChem CID 86941097) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 6,7-diethoxy-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]quinolin-4-amine.

Molecular Properties

Compound Name6,7-diethoxy-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]quinolin-4-amine
PubChem CID86941097
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name6,7-diethoxy-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]quinolin-4-amine
SMILESCCOc1cc2nccc(N(C)CC3CCCN3c3cccnn3)c2cc1OCC
InChIInChI=1S/C23H29N5O2/c1-4-29-21-14-18-19(15-22(21)30-5-2)24-12-10-20(18)27(3)16-17-8-7-13-28(17)23-9-6-11-25-26-23/h6,9-12,14-15,17H,4-5,7-8,13,16H2,1-3H3
InChIKeyBFYKOZWHPOPMDU-UHFFFAOYSA-N
XLogP3.93
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 133281245
3-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]pyridazine
CID 57034400
N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrazin-2-amine
CID 133281201
N-methyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]quinoxalin-2-amine
CID 95599819
[1-(6,7-diethoxyquinolin-4-yl)pyrrolidin-2-yl]methanol
CID 75512282
N-methyl-2-(4-propoxyphenoxy)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]ethanamine
CID 86894797
N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 56778280
N,6-dimethyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 95338210
(2S)-1-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 95610890
3-chloro-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 133281244
6-chloro-4-N,5-N-dimethyl-4-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidine-4,5-diamine
CID 133464605
N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine
CID 86894438

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]quinolin-4-amine?
The IUPAC name of 6,7-diethoxy-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]quinolin-4-amine (CID 86941097) is 6,7-diethoxy-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]quinolin-4-amine.
What is the SMILES notation for 6,7-diethoxy-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]quinolin-4-amine?
The canonical SMILES for 6,7-diethoxy-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]quinolin-4-amine is CCOc1cc2nccc(N(C)CC3CCCN3c3cccnn3)c2cc1OCC.
What is the InChIKey of 6,7-diethoxy-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]quinolin-4-amine?
The InChIKey is BFYKOZWHPOPMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-4-29-21-14-18-19(15-22(21)30-5-2)24-12-10-20(18)27(3)16-17-8-7-13-28(17)23-9-6-11-25-26-23/h6,9-12,14-15,17H,4-5,7-8,13,16H2,1-3H3.
What are the key properties of 6,7-diethoxy-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]quinolin-4-amine?
6,7-diethoxy-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]quinolin-4-amine has a molecular weight of 407.52 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]quinolin-4-amine is sourced from PubChem (CID 86941097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).