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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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).