8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline

C21H21ClN6 — CID 142423913

IUPAC8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline
SMILESCc1cnc(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@@H]2CCN(C)C2)cn1
InChIInChI=1S/C21H21ClN6/c1-13-9-24-15(10-23-13)8-20-26-19-11-25-18-4-3-14(22)7-17(18)21(19)28(20)16-5-6-27(2)12-16/h3-4,7,9-11,16H,5-6,8,12H2,1-2H3/t16-/m1/s1
InChIKeyRBTCGKSCEVVCNI-MRXNPFEDSA-N
MW392.89 g/mol
LogP3.80
Rot. Bonds3

About 8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline

8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline (PubChem CID 142423913) has the molecular formula C21H21ClN6 and a molecular weight of 392.89 g/mol. Its IUPAC name is 8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline
PubChem CID142423913
Molecular FormulaC21H21ClN6
Molecular Weight392.89 g/mol
Exact Mass392.15
IUPAC Name8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline
SMILESCc1cnc(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@@H]2CCN(C)C2)cn1
InChIInChI=1S/C21H21ClN6/c1-13-9-24-15(10-23-13)8-20-26-19-11-25-18-4-3-14(22)7-17(18)21(19)28(20)16-5-6-27(2)12-16/h3-4,7,9-11,16H,5-6,8,12H2,1-2H3/t16-/m1/s1
InChIKeyRBTCGKSCEVVCNI-MRXNPFEDSA-N
XLogP3.80
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Bms-279700
CID 9844320
6-Chloro-3,4-Dimethyl-1-(3-Methylpyridin-4-Yl)-8-(Trifluoromethyl)imidazo[1,5-A]quinoxaline
CID 49821469
n-(2-(1h-Indol-3-yl)ethyl)-9-isopropyl-2-(5-methylpyridin-3-yl)-9h-purin-6-amine
CID 46216378
2-(4-chlorophenyl)-3H-imidazo[4,5-c]quinoline
CID 10540663
8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(piperidin-1-yl)-9H-purine
CID 25190878
N-(2-chloro-6-methylphenyl)-12-(4-methylpiperazin-1-yl)-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
CID 9866128
3-[1-[[5-(3-Chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methyl]imidazol-2-yl]benzonitrile
CID 10143705
5-(3-Chlorophenyl)-7-[(3-methylimidazol-4-yl)-(2-phenylimidazol-1-yl)methyl]tetrazolo[1,5-a]quinazoline
CID 10229664
8,9-dichloro-2-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine
CID 10367574
4-(4-Benzylpiperazin-1-yl)-7-chloropyrrolo[1,2-a]quinoxaline
CID 10738329
7-N-(2-chloro-6-methylphenyl)-12-N,12-N-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-7,12-diamine
CID 11175620
(R)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11710453

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline?
The IUPAC name of 8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline (CID 142423913) is 8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline.
What is the SMILES notation for 8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline?
The canonical SMILES for 8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline is Cc1cnc(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@@H]2CCN(C)C2)cn1.
What is the InChIKey of 8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline?
The InChIKey is RBTCGKSCEVVCNI-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H21ClN6/c1-13-9-24-15(10-23-13)8-20-26-19-11-25-18-4-3-14(22)7-17(18)21(19)28(20)16-5-6-27(2)12-16/h3-4,7,9-11,16H,5-6,8,12H2,1-2H3/t16-/m1/s1.
What are the key properties of 8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline?
8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline has a molecular weight of 392.89 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline is sourced from PubChem (CID 142423913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).