propan-2-yl (2S)-2-[[methoxymethyl-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxymethyl]phenoxy]phosphoryl]amino]propanoate

C30H38N5O7P — CID 130324116

IUPACpropan-2-yl (2S)-2-[[methoxymethyl-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxymethyl]phenoxy]phosphoryl]amino]propanoate
SMILESCOCP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc1ccc(COC(=O)Nc2nc3ccccc3c3c2ncn3CC(C)C)cc1
InChIInChI=1S/C30H38N5O7P/c1-19(2)15-35-17-31-26-27(35)24-9-7-8-10-25(24)32-28(26)33-30(37)40-16-22-11-13-23(14-12-22)42-43(38,18-39-6)34-21(5)29(36)41-20(3)4/h7-14,17,19-21H,15-16,18H2,1-6H3,(H,34,38)(H,32,33,37)/t21-,43?/m0/s1
InChIKeyRWOBERMDCQXJKT-AKEFVGSZSA-N
MW611.64 g/mol
LogP6.09
Rot. Bonds13

About propan-2-yl (2S)-2-[[methoxymethyl-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxymethyl]phenoxy]phosphoryl]amino]propanoate

propan-2-yl (2S)-2-[[methoxymethyl-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxymethyl]phenoxy]phosphoryl]amino]propanoate (PubChem CID 130324116) has the molecular formula C30H38N5O7P and a molecular weight of 611.64 g/mol. Its IUPAC name is propan-2-yl (2S)-2-[[methoxymethyl-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxymethyl]phenoxy]phosphoryl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-[[methoxymethyl-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxymethyl]phenoxy]phosphoryl]amino]propanoate
PubChem CID130324116
Molecular FormulaC30H38N5O7P
Molecular Weight611.64 g/mol
Exact Mass611.25
IUPAC Namepropan-2-yl (2S)-2-[[methoxymethyl-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxymethyl]phenoxy]phosphoryl]amino]propanoate
SMILESCOCP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc1ccc(COC(=O)Nc2nc3ccccc3c3c2ncn3CC(C)C)cc1
InChIInChI=1S/C30H38N5O7P/c1-19(2)15-35-17-31-26-27(35)24-9-7-8-10-25(24)32-28(26)33-30(37)40-16-22-11-13-23(14-12-22)42-43(38,18-39-6)34-21(5)29(36)41-20(3)4/h7-14,17,19-21H,15-16,18H2,1-6H3,(H,34,38)(H,32,33,37)/t21-,43?/m0/s1
InChIKeyRWOBERMDCQXJKT-AKEFVGSZSA-N
XLogP6.09
TPSA142.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.64
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze propan-2-yl (2S)-2-[[methoxymethyl-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxymethyl]phenoxy]phosphoryl]amino]propanoate 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

[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]hydrazine
CID 11107934
benzyl N-[1-(2-prop-1-ynoxyethyl)imidazo[4,5-c]quinolin-4-yl]carbamate
CID 22254451
N'-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]methanediamine
CID 71085783
propan-2-yl (2R)-2-[[[(2S)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate
CID 129407224
2,2-dimethyl-N-[2-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethyl]propanamide
CID 162785225
N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]heptanamide
CID 162361130
propan-2-yl 2-[[phenoxy(propan-2-yloxymethyl)phosphoryl]amino]propanoate
CID 90440549
cyclopentyl (2R)-3-[4-[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]oxyphenyl]-2-(phenylmethoxycarbonylamino)propanoate
CID 164612598
2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide
CID 163665582
propan-2-yl (2R)-2-[[[(2R)-1-(6-nitropurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate
CID 152908483
propan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate
CID 123570379
propan-2-yl 2-[[2-(6-aminopurin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate
CID 130441672

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-[[methoxymethyl-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxymethyl]phenoxy]phosphoryl]amino]propanoate?
The IUPAC name of propan-2-yl (2S)-2-[[methoxymethyl-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxymethyl]phenoxy]phosphoryl]amino]propanoate (CID 130324116) is propan-2-yl (2S)-2-[[methoxymethyl-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxymethyl]phenoxy]phosphoryl]amino]propanoate.
What is the SMILES notation for propan-2-yl (2S)-2-[[methoxymethyl-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxymethyl]phenoxy]phosphoryl]amino]propanoate?
The canonical SMILES for propan-2-yl (2S)-2-[[methoxymethyl-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxymethyl]phenoxy]phosphoryl]amino]propanoate is COCP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc1ccc(COC(=O)Nc2nc3ccccc3c3c2ncn3CC(C)C)cc1.
What is the InChIKey of propan-2-yl (2S)-2-[[methoxymethyl-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxymethyl]phenoxy]phosphoryl]amino]propanoate?
The InChIKey is RWOBERMDCQXJKT-AKEFVGSZSA-N. The full InChI is InChI=1S/C30H38N5O7P/c1-19(2)15-35-17-31-26-27(35)24-9-7-8-10-25(24)32-28(26)33-30(37)40-16-22-11-13-23(14-12-22)42-43(38,18-39-6)34-21(5)29(36)41-20(3)4/h7-14,17,19-21H,15-16,18H2,1-6H3,(H,34,38)(H,32,33,37)/t21-,43?/m0/s1.
What are the key properties of propan-2-yl (2S)-2-[[methoxymethyl-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxymethyl]phenoxy]phosphoryl]amino]propanoate?
propan-2-yl (2S)-2-[[methoxymethyl-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxymethyl]phenoxy]phosphoryl]amino]propanoate has a molecular weight of 611.64 g/mol, XLogP of 6.09, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-[[methoxymethyl-[4-[[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxymethyl]phenoxy]phosphoryl]amino]propanoate is sourced from PubChem (CID 130324116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).