tert-butyl N-[3-[2-(cyanoamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-1-yl]propyl]carbamate

C25H29N7O4 — CID 144820409

IUPACtert-butyl N-[3-[2-(cyanoamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-1-yl]propyl]carbamate
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1nc(NC#N)n(CCCNC(=O)OC(C)(C)C)c12
InChIInChI=1S/C25H29N7O4/c1-14-21(15(2)36-31-14)17-10-18-16(11-20(17)34-6)22-19(12-28-18)30-23(29-13-26)32(22)9-7-8-27-24(33)35-25(3,4)5/h10-12H,7-9H2,1-6H3,(H,27,33)(H,29,30)
InChIKeyHOQITLTUCUMHTR-UHFFFAOYSA-N
MW491.55 g/mol
LogP4.67
Rot. Bonds7

About tert-butyl N-[3-[2-(cyanoamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-1-yl]propyl]carbamate

tert-butyl N-[3-[2-(cyanoamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-1-yl]propyl]carbamate (PubChem CID 144820409) has the molecular formula C25H29N7O4 and a molecular weight of 491.55 g/mol. Its IUPAC name is tert-butyl N-[3-[2-(cyanoamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-1-yl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-(cyanoamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-1-yl]propyl]carbamate
PubChem CID144820409
Molecular FormulaC25H29N7O4
Molecular Weight491.55 g/mol
Exact Mass491.23
IUPAC Nametert-butyl N-[3-[2-(cyanoamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-1-yl]propyl]carbamate
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1nc(NC#N)n(CCCNC(=O)OC(C)(C)C)c12
InChIInChI=1S/C25H29N7O4/c1-14-21(15(2)36-31-14)17-10-18-16(11-20(17)34-6)22-19(12-28-18)30-23(29-13-26)32(22)9-7-8-27-24(33)35-25(3,4)5/h10-12H,7-9H2,1-6H3,(H,27,33)(H,29,30)
InChIKeyHOQITLTUCUMHTR-UHFFFAOYSA-N
XLogP4.67
TPSA140.12 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze tert-butyl N-[3-[2-(cyanoamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-1-yl]propyl]carbamate 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

[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyethyl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone
CID 86298324
3-[1-[(4-chlorophenyl)methyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]propanenitrile
CID 70664019
[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-yl]-phenylmethanone
CID 86295487
4-[2-cyclopentyl-1-[2-(difluoromethoxy)ethyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 166751554
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-(2-methoxyethyl)-1-propan-2-ylimidazo[4,5-c]quinolin-2-one
CID 123985108
ethane;4-[8-methoxy-1-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 144547349
1-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-yl]ethane-1,2-diamine
CID 123553196
1-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
CID 164609567
4-[2,8-dimethoxy-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 122705179
tert-butyl N-[4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate
CID 86593760
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]quinoline-3-carboxylic acid
CID 90222565
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-(2-methoxyethyl)-3-nitroquinolin-4-amine;ethane
CID 145190462

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-(cyanoamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-1-yl]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-(cyanoamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-1-yl]propyl]carbamate (CID 144820409) is tert-butyl N-[3-[2-(cyanoamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-1-yl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-(cyanoamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-1-yl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-(cyanoamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-1-yl]propyl]carbamate is COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(NC#N)n(CCCNC(=O)OC(C)(C)C)c12.
What is the InChIKey of tert-butyl N-[3-[2-(cyanoamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-1-yl]propyl]carbamate?
The InChIKey is HOQITLTUCUMHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O4/c1-14-21(15(2)36-31-14)17-10-18-16(11-20(17)34-6)22-19(12-28-18)30-23(29-13-26)32(22)9-7-8-27-24(33)35-25(3,4)5/h10-12H,7-9H2,1-6H3,(H,27,33)(H,29,30).
What are the key properties of tert-butyl N-[3-[2-(cyanoamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-1-yl]propyl]carbamate?
tert-butyl N-[3-[2-(cyanoamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-1-yl]propyl]carbamate has a molecular weight of 491.55 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-(cyanoamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-1-yl]propyl]carbamate is sourced from PubChem (CID 144820409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).