8-ethyl-4-[[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile

C24H23N5O — CID 92864311

IUPAC8-ethyl-4-[[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile
SMILESCCc1cccc2c(N[C@H](c3cccc(OC)c3)c3nccn3C)c(C#N)cnc12
InChIInChI=1S/C24H23N5O/c1-4-16-7-6-10-20-21(16)27-15-18(14-25)22(20)28-23(24-26-11-12-29(24)2)17-8-5-9-19(13-17)30-3/h5-13,15,23H,4H2,1-3H3,(H,27,28)/t23-/m1/s1
InChIKeyTWMDNDICULJTPA-HSZRJFAPSA-N
MW397.48 g/mol
LogP4.61
Rot. Bonds6

About 8-ethyl-4-[[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile

8-ethyl-4-[[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile (PubChem CID 92864311) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 8-ethyl-4-[[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name8-ethyl-4-[[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile
PubChem CID92864311
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name8-ethyl-4-[[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile
SMILESCCc1cccc2c(N[C@H](c3cccc(OC)c3)c3nccn3C)c(C#N)cnc12
InChIInChI=1S/C24H23N5O/c1-4-16-7-6-10-20-21(16)27-15-18(14-25)22(20)28-23(24-26-11-12-29(24)2)17-8-5-9-19(13-17)30-3/h5-13,15,23H,4H2,1-3H3,(H,27,28)/t23-/m1/s1
InChIKeyTWMDNDICULJTPA-HSZRJFAPSA-N
XLogP4.61
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-diethylphenyl)-N'-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxamide
CID 47044298
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-2-amine
CID 133467708
N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-nitroquinolin-8-amine
CID 31539784
3-cyano-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014722
N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylquinazolin-4-amine
CID 92535647
2-(4-cyanoanilino)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 47079560
N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
N,N-diethyl-4-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-nitrobenzenesulfonamide
CID 24541736
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
4-methoxy-N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
CID 30160578
(1S)-N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 94193703
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 131963630

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-4-[[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile?
The IUPAC name of 8-ethyl-4-[[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile (CID 92864311) is 8-ethyl-4-[[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile.
What is the SMILES notation for 8-ethyl-4-[[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile?
The canonical SMILES for 8-ethyl-4-[[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile is CCc1cccc2c(N[C@H](c3cccc(OC)c3)c3nccn3C)c(C#N)cnc12.
What is the InChIKey of 8-ethyl-4-[[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile?
The InChIKey is TWMDNDICULJTPA-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H23N5O/c1-4-16-7-6-10-20-21(16)27-15-18(14-25)22(20)28-23(24-26-11-12-29(24)2)17-8-5-9-19(13-17)30-3/h5-13,15,23H,4H2,1-3H3,(H,27,28)/t23-/m1/s1.
What are the key properties of 8-ethyl-4-[[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile?
8-ethyl-4-[[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile has a molecular weight of 397.48 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-4-[[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile is sourced from PubChem (CID 92864311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).