1-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxyurea

C19H26N6O2 — CID 58869094

IUPAC1-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxyurea
SMILESCCCc1nc2c(N)nc3ccccc3c2n1CCCCN(OC)C(N)=O
InChIInChI=1S/C19H26N6O2/c1-3-8-15-23-16-17(13-9-4-5-10-14(13)22-18(16)20)24(15)11-6-7-12-25(27-2)19(21)26/h4-5,9-10H,3,6-8,11-12H2,1-2H3,(H2,20,22)(H2,21,26)
InChIKeyCFCMVEYOSILFRF-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.84
Rot. Bonds8

About 1-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxyurea

1-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxyurea (PubChem CID 58869094) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxyurea.

Molecular Properties

Compound Name1-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxyurea
PubChem CID58869094
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name1-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxyurea
SMILESCCCc1nc2c(N)nc3ccccc3c2n1CCCCN(OC)C(N)=O
InChIInChI=1S/C19H26N6O2/c1-3-8-15-23-16-17(13-9-4-5-10-14(13)22-18(16)20)24(15)11-6-7-12-25(27-2)19(21)26/h4-5,9-10H,3,6-8,11-12H2,1-2H3,(H2,20,22)(H2,21,26)
InChIKeyCFCMVEYOSILFRF-UHFFFAOYSA-N
XLogP2.84
TPSA112.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-[methoxy(methylsulfanyl)amino]butyl]-2-propylimidazo[4,5-c]quinolin-4-amine
CID 143056437
4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240
N-[4-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-N-methoxyacetamide
CID 87867662
N-[4-(4-amino-2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-N-methoxybenzamide
CID 58869112
1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 22320471
2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]benzamide
CID 68821910
N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxymethanesulfonamide
CID 91001458
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
2-butyl-1-[4-[(4-ethylphenyl)methyl-methylamino]butyl]imidazo[4,5-c]quinolin-4-amine
CID 167298983
2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]guanidine;hydrochloride
CID 126650986
N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-N-methylmethanesulfonamide
CID 70976292
3-[4-amino-1-(3-hydroxypropyl)imidazo[4,5-c]quinolin-2-yl]propanamide
CID 173109370

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxyurea?
The IUPAC name of 1-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxyurea (CID 58869094) is 1-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxyurea.
What is the SMILES notation for 1-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxyurea?
The canonical SMILES for 1-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxyurea is CCCc1nc2c(N)nc3ccccc3c2n1CCCCN(OC)C(N)=O.
What is the InChIKey of 1-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxyurea?
The InChIKey is CFCMVEYOSILFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-3-8-15-23-16-17(13-9-4-5-10-14(13)22-18(16)20)24(15)11-6-7-12-25(27-2)19(21)26/h4-5,9-10H,3,6-8,11-12H2,1-2H3,(H2,20,22)(H2,21,26).
What are the key properties of 1-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxyurea?
1-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxyurea has a molecular weight of 370.46 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxyurea is sourced from PubChem (CID 58869094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).