N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-(2-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide

C29H37N3O5 — CID 26397869

IUPACN-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-(2-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESCOc1ccccc1CCC(=O)N(Cc1cc2c(OC)ccc(OC)c2nc1N(C)C)C[C@H]1CCCO1
InChIInChI=1S/C29H37N3O5/c1-31(2)29-21(17-23-25(35-4)13-14-26(36-5)28(23)30-29)18-32(19-22-10-8-16-37-22)27(33)15-12-20-9-6-7-11-24(20)34-3/h6-7,9,11,13-14,17,22H,8,10,12,15-16,18-19H2,1-5H3/t22-/m1/s1
InChIKeyYBXGNGHVTDUCRT-JOCHJYFZSA-N
MW507.63 g/mol
LogP4.47
Rot. Bonds11

About N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-(2-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide

N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-(2-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide (PubChem CID 26397869) has the molecular formula C29H37N3O5 and a molecular weight of 507.63 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-(2-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-(2-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
PubChem CID26397869
Molecular FormulaC29H37N3O5
Molecular Weight507.63 g/mol
Exact Mass507.27
IUPAC NameN-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-(2-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESCOc1ccccc1CCC(=O)N(Cc1cc2c(OC)ccc(OC)c2nc1N(C)C)C[C@H]1CCCO1
InChIInChI=1S/C29H37N3O5/c1-31(2)29-21(17-23-25(35-4)13-14-26(36-5)28(23)30-29)18-32(19-22-10-8-16-37-22)27(33)15-12-20-9-6-7-11-24(20)34-3/h6-7,9,11,13-14,17,22H,8,10,12,15-16,18-19H2,1-5H3/t22-/m1/s1
InChIKeyYBXGNGHVTDUCRT-JOCHJYFZSA-N
XLogP4.47
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.63
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26352971
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 55968507
N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-2,3,4-trimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 45204109
N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-(furan-2-ylmethyl)oxolane-2-carboxamide
CID 45253101
N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 45244682
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 119729703
3-(2-methoxyphenyl)-N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 99790252
N-[(2-methoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
CID 55968895
3-(3-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 55968778
N-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 55968770
3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 134047491
N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrazol-1-ylbenzamide
CID 98337602

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-(2-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-(2-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide (CID 26397869) is N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-(2-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-(2-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-(2-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide is COc1ccccc1CCC(=O)N(Cc1cc2c(OC)ccc(OC)c2nc1N(C)C)C[C@H]1CCCO1.
What is the InChIKey of N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-(2-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The InChIKey is YBXGNGHVTDUCRT-JOCHJYFZSA-N. The full InChI is InChI=1S/C29H37N3O5/c1-31(2)29-21(17-23-25(35-4)13-14-26(36-5)28(23)30-29)18-32(19-22-10-8-16-37-22)27(33)15-12-20-9-6-7-11-24(20)34-3/h6-7,9,11,13-14,17,22H,8,10,12,15-16,18-19H2,1-5H3/t22-/m1/s1.
What are the key properties of N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-(2-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-(2-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide has a molecular weight of 507.63 g/mol, XLogP of 4.47, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-(2-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 26397869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).