N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide

C27H30ClN5O2 — CID 59484045

IUPACN-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide
SMILESCCC(CC)C(=O)N(C)Cc1cncc(Cl)c1COc1cccc2c(-n3ccnc3)cc(C)nc12
InChIInChI=1S/C27H30ClN5O2/c1-5-19(6-2)27(34)32(4)15-20-13-30-14-23(28)22(20)16-35-25-9-7-8-21-24(33-11-10-29-17-33)12-18(3)31-26(21)25/h7-14,17,19H,5-6,15-16H2,1-4H3
InChIKeyBEDUWWAUMDJPPR-UHFFFAOYSA-N
MW492.02 g/mol
LogP5.75
Rot. Bonds9

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

N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide (PubChem CID 59484045) has the molecular formula C27H30ClN5O2 and a molecular weight of 492.02 g/mol. Its IUPAC name is N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide.

Molecular Properties

Compound NameN-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide
PubChem CID59484045
Molecular FormulaC27H30ClN5O2
Molecular Weight492.02 g/mol
Exact Mass491.21
IUPAC NameN-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide
SMILESCCC(CC)C(=O)N(C)Cc1cncc(Cl)c1COc1cccc2c(-n3ccnc3)cc(C)nc12
InChIInChI=1S/C27H30ClN5O2/c1-5-19(6-2)27(34)32(4)15-20-13-30-14-23(28)22(20)16-35-25-9-7-8-21-24(33-11-10-29-17-33)12-18(3)31-26(21)25/h7-14,17,19H,5-6,15-16H2,1-4H3
InChIKeyBEDUWWAUMDJPPR-UHFFFAOYSA-N
XLogP5.75
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.02
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethylbutanamide
CID 59484368
N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide
CID 59484076
N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide
CID 89018125
N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-1-methylcyclohexane-1-carboxamide
CID 59483968
(3R)-1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-3-methylpyrrolidine-2,5-dione
CID 59484179
8-[[3-chloro-5-(1-methylimidazol-2-yl)sulfanyl-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline
CID 59484241
N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide;4-imidazol-1-yl-2-methylquinolin-8-ol
CID 161202215
2-[[3,5-dichloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]amino]acetamide
CID 59484278
N-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]propanamide
CID 56977731
8-[(2,4-dimethyl-3-pyridinyl)methoxy]-4-imidazol-1-yl-2-methylquinoline
CID 59483960
2-acetamido-N-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 18704953
8-[[3-chloro-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline
CID 59484396

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]-2-ethyl-N-methylbutanamide?
The IUPAC name of N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide (CID 59484045) is N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide.
What is the SMILES notation for N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide?
The canonical SMILES for N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide is CCC(CC)C(=O)N(C)Cc1cncc(Cl)c1COc1cccc2c(-n3ccnc3)cc(C)nc12.
What is the InChIKey of N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide?
The InChIKey is BEDUWWAUMDJPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN5O2/c1-5-19(6-2)27(34)32(4)15-20-13-30-14-23(28)22(20)16-35-25-9-7-8-21-24(33-11-10-29-17-33)12-18(3)31-26(21)25/h7-14,17,19H,5-6,15-16H2,1-4H3.
What are the key properties of N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide?
N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide has a molecular weight of 492.02 g/mol, XLogP of 5.75, 9 rotatable bonds, 0 hydrogen bond donors, and 6 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]-2-ethyl-N-methylbutanamide is sourced from PubChem (CID 59484045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).