N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide

C25H31N5O4 — CID 56854668

IUPACN-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1ccn(CCC(=O)N(Cc2cc3cc4c(cc3nc2N(C)C)OCO4)CC2CCCO2)n1
InChIInChI=1S/C25H31N5O4/c1-17-6-8-30(27-17)9-7-24(31)29(15-20-5-4-10-32-20)14-19-11-18-12-22-23(34-16-33-22)13-21(18)26-25(19)28(2)3/h6,8,11-13,20H,4-5,7,9-10,14-16H2,1-3H3
InChIKeyIXRJNBWSOWHEKC-UHFFFAOYSA-N
MW465.55 g/mol
LogP3.13
Rot. Bonds8

About N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide

N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 56854668) has the molecular formula C25H31N5O4 and a molecular weight of 465.55 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID56854668
Molecular FormulaC25H31N5O4
Molecular Weight465.55 g/mol
Exact Mass465.24
IUPAC NameN-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1ccn(CCC(=O)N(Cc2cc3cc4c(cc3nc2N(C)C)OCO4)CC2CCCO2)n1
InChIInChI=1S/C25H31N5O4/c1-17-6-8-30(27-17)9-7-24(31)29(15-20-5-4-10-32-20)14-19-11-18-12-22-23(34-16-33-22)13-21(18)26-25(19)28(2)3/h6,8,11-13,20H,4-5,7,9-10,14-16H2,1-3H3
InChIKeyIXRJNBWSOWHEKC-UHFFFAOYSA-N
XLogP3.13
TPSA81.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-(4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 26342772
2-cyclopentyl-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 26333368
N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 45167203
3-(3-methylpyrazol-1-yl)-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 118757755
N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-(oxolan-2-ylmethyl)-1,2,5-thiadiazole-3-carboxamide
CID 56853594
(2S)-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide
CID 26359031
N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 42368360
N-[[6-methyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]quinolin-3-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42431465
3-(4-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 87044999
N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-(2-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 26397869
N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 45226958
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 55763211

Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide (CID 56854668) is N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide is Cc1ccn(CCC(=O)N(Cc2cc3cc4c(cc3nc2N(C)C)OCO4)CC2CCCO2)n1.
What is the InChIKey of N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is IXRJNBWSOWHEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4/c1-17-6-8-30(27-17)9-7-24(31)29(15-20-5-4-10-32-20)14-19-11-18-12-22-23(34-16-33-22)13-21(18)26-25(19)28(2)3/h6,8,11-13,20H,4-5,7,9-10,14-16H2,1-3H3.
What are the key properties of N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 465.55 g/mol, XLogP of 3.13, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 56854668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).