N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide

C27H30ClN5O4 — CID 59484076

IUPACN-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide
SMILESCc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)cncc3CN(CC(O)CO)C(=O)C(C)C)c2n1
InChIInChI=1S/C27H30ClN5O4/c1-17(2)27(36)33(13-20(35)14-34)12-19-10-30-11-23(28)22(19)15-37-25-6-4-5-21-24(32-8-7-29-16-32)9-18(3)31-26(21)25/h4-11,16-17,20,34-35H,12-15H2,1-3H3
InChIKeyAELMZSQEZRQKEC-UHFFFAOYSA-N
MW524.02 g/mol
LogP3.69
Rot. Bonds10

About N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide

N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide (PubChem CID 59484076) has the molecular formula C27H30ClN5O4 and a molecular weight of 524.02 g/mol. Its IUPAC name is N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide
PubChem CID59484076
Molecular FormulaC27H30ClN5O4
Molecular Weight524.02 g/mol
Exact Mass523.20
IUPAC NameN-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide
SMILESCc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)cncc3CN(CC(O)CO)C(=O)C(C)C)c2n1
InChIInChI=1S/C27H30ClN5O4/c1-17(2)27(36)33(13-20(35)14-34)12-19-10-30-11-23(28)22(19)15-37-25-6-4-5-21-24(32-8-7-29-16-32)9-18(3)31-26(21)25/h4-11,16-17,20,34-35H,12-15H2,1-3H3
InChIKeyAELMZSQEZRQKEC-UHFFFAOYSA-N
XLogP3.69
TPSA113.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.02
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide with MolForge

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Related Compounds

8-(3,5-Dichloro-pyridin-4-ylmethoxy)-4-imidazol-1-yl-2-methyl-quinoline
CID 44191138
8-(3,5-Dichloro-pyridin-4-ylmethoxy)-2-methyl-4-(2-methyl-imidazol-1-yl)-quinoline
CID 44191220
8-(3,5-dichloro-pyridin-4-ylmethoxy)-2-methyl-4-(1-methyl-1H-imidazol-2-yl)-quinoline
CID 44191223
8-(3,5-dichloro-pyridin-4-ylmethoxy)-4-(1,5-dimethyl-1H-imidazol-2-yl)-2-methylquinoline
CID 44191224
8-(Imidazo[1,2-a]pyrimidin-2-ylmethoxy)quinoline
CID 708799
5-Chloro-8-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)quinoline
CID 2997964
8-(3,5-dichloro-pyridin-4-ylmethoxy)-2-methyl-4-(3-methyl-3H-imidazol-4-yl)-quinoline
CID 44191221
US10201546, Example 5a
CID 118022639
US10201546, Example 47
CID 129303858
US10201546, Example 49a
CID 129303859
US10201546, Example 5b
CID 138805708
US10201546, Example 5c
CID 138805709

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide?
The IUPAC name of N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide (CID 59484076) is N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide.
What is the SMILES notation for N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide?
The canonical SMILES for N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide is Cc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)cncc3CN(CC(O)CO)C(=O)C(C)C)c2n1.
What is the InChIKey of N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide?
The InChIKey is AELMZSQEZRQKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN5O4/c1-17(2)27(36)33(13-20(35)14-34)12-19-10-30-11-23(28)22(19)15-37-25-6-4-5-21-24(32-8-7-29-16-32)9-18(3)31-26(21)25/h4-11,16-17,20,34-35H,12-15H2,1-3H3.
What are the key properties of N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide?
N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide has a molecular weight of 524.02 g/mol, XLogP of 3.69, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide is sourced from PubChem (CID 59484076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).