N-[[4-amino-7-chloro-1-(4-morpholin-4-yl-4-oxobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylformamide

C22H27ClN6O3 — CID 155420815

IUPACN-[[4-amino-7-chloro-1-(4-morpholin-4-yl-4-oxobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylformamide
SMILESCCN(C=O)Cc1nc2c(N)nc3cc(Cl)ccc3c2n1CCCC(=O)N1CCOCC1
InChIInChI=1S/C22H27ClN6O3/c1-2-27(14-30)13-18-26-20-21(16-6-5-15(23)12-17(16)25-22(20)24)29(18)7-3-4-19(31)28-8-10-32-11-9-28/h5-6,12,14H,2-4,7-11,13H2,1H3,(H2,24,25)
InChIKeyYZBCKOGDEGBAQV-UHFFFAOYSA-N
MW458.95 g/mol
LogP2.44
Rot. Bonds8

About N-[[4-amino-7-chloro-1-(4-morpholin-4-yl-4-oxobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylformamide

N-[[4-amino-7-chloro-1-(4-morpholin-4-yl-4-oxobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylformamide (PubChem CID 155420815) has the molecular formula C22H27ClN6O3 and a molecular weight of 458.95 g/mol. Its IUPAC name is N-[[4-amino-7-chloro-1-(4-morpholin-4-yl-4-oxobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylformamide.

Molecular Properties

Compound NameN-[[4-amino-7-chloro-1-(4-morpholin-4-yl-4-oxobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylformamide
PubChem CID155420815
Molecular FormulaC22H27ClN6O3
Molecular Weight458.95 g/mol
Exact Mass458.18
IUPAC NameN-[[4-amino-7-chloro-1-(4-morpholin-4-yl-4-oxobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylformamide
SMILESCCN(C=O)Cc1nc2c(N)nc3cc(Cl)ccc3c2n1CCCC(=O)N1CCOCC1
InChIInChI=1S/C22H27ClN6O3/c1-2-27(14-30)13-18-26-20-21(16-6-5-15(23)12-17(16)25-22(20)24)29(18)7-3-4-19(31)28-8-10-32-11-9-28/h5-6,12,14H,2-4,7-11,13H2,1H3,(H2,24,25)
InChIKeyYZBCKOGDEGBAQV-UHFFFAOYSA-N
XLogP2.44
TPSA106.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.95
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-morpholin-4-ylbutan-1-one
CID 57447015
4-(4-amino-6,7-dimethyl-2-propylimidazo[4,5-c]pyridin-1-yl)-1-morpholin-4-ylbutan-1-one
CID 57447081
4-[4-amino-7-bromo-2-[[ethyl(methyl)amino]methyl]imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylbutanamide
CID 146561403
N-[3-[4-amino-2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]propyl]morpholine-4-carboxamide
CID 11856661
[4-[[4-amino-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 68818117
4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240
2-[(9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,11-hexaen-5-yl)oxy]-1-morpholin-4-ylethanone
CID 11574514
1-(3-amino-2,2-dimethylpropyl)-2-butyl-7-chloroimidazo[4,5-c]quinolin-4-amine
CID 166933555
1-[4-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]piperazin-1-yl]-7-[2-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptane-1,4-dione
CID 165076395
tert-butyl N-[[4-amino-7-bromo-1-(2-butoxyethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate
CID 165149760
tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate
CID 137498142
methyl 4-amino-2-butyl-1-(5-methoxy-5-oxopentyl)imidazo[4,5-c]quinoline-7-carboxylate
CID 130289685

Frequently Asked Questions

What is the IUPAC name of N-[[4-amino-7-chloro-1-(4-morpholin-4-yl-4-oxobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylformamide?
The IUPAC name of N-[[4-amino-7-chloro-1-(4-morpholin-4-yl-4-oxobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylformamide (CID 155420815) is N-[[4-amino-7-chloro-1-(4-morpholin-4-yl-4-oxobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylformamide.
What is the SMILES notation for N-[[4-amino-7-chloro-1-(4-morpholin-4-yl-4-oxobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylformamide?
The canonical SMILES for N-[[4-amino-7-chloro-1-(4-morpholin-4-yl-4-oxobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylformamide is CCN(C=O)Cc1nc2c(N)nc3cc(Cl)ccc3c2n1CCCC(=O)N1CCOCC1.
What is the InChIKey of N-[[4-amino-7-chloro-1-(4-morpholin-4-yl-4-oxobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylformamide?
The InChIKey is YZBCKOGDEGBAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN6O3/c1-2-27(14-30)13-18-26-20-21(16-6-5-15(23)12-17(16)25-22(20)24)29(18)7-3-4-19(31)28-8-10-32-11-9-28/h5-6,12,14H,2-4,7-11,13H2,1H3,(H2,24,25).
What are the key properties of N-[[4-amino-7-chloro-1-(4-morpholin-4-yl-4-oxobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylformamide?
N-[[4-amino-7-chloro-1-(4-morpholin-4-yl-4-oxobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylformamide has a molecular weight of 458.95 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-amino-7-chloro-1-(4-morpholin-4-yl-4-oxobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylformamide is sourced from PubChem (CID 155420815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).