(1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethanamine;2-[(1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione

C42H34Cl2N6O2 — CID 159468989

IUPAC(1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethanamine;2-[(1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione
SMILESCc1cccc(-c2nc3c(Cl)cccc3cc2[C@H](C)N)n1.Cc1cccc(-c2nc3c(Cl)cccc3cc2[C@H](C)N2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C25H18ClN3O2.C17H16ClN3/c1-14-7-5-12-21(27-14)23-19(13-16-8-6-11-20(26)22(16)28-23)15(2)29-24(30)17-9-3-4-10-18(17)25(29)31;1-10-5-3-8-15(20-10)17-13(11(2)19)9-12-6-4-7-14(18)16(12)21-17/h3-13,15H,1-2H3;3-9,11H,19H2,1-2H3/t15-;11-/m00/s1
InChIKeyLVOACSHRFZSUGU-XNICRKRISA-N
MW725.68 g/mol
LogP9.89
Rot. Bonds5

About (1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethanamine;2-[(1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione

(1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethanamine;2-[(1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione (PubChem CID 159468989) has the molecular formula C42H34Cl2N6O2 and a molecular weight of 725.68 g/mol. Its IUPAC name is (1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethanamine;2-[(1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name(1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethanamine;2-[(1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione
PubChem CID159468989
Molecular FormulaC42H34Cl2N6O2
Molecular Weight725.68 g/mol
Exact Mass724.21
IUPAC Name(1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethanamine;2-[(1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione
SMILESCc1cccc(-c2nc3c(Cl)cccc3cc2[C@H](C)N)n1.Cc1cccc(-c2nc3c(Cl)cccc3cc2[C@H](C)N2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C25H18ClN3O2.C17H16ClN3/c1-14-7-5-12-21(27-14)23-19(13-16-8-6-11-20(26)22(16)28-23)15(2)29-24(30)17-9-3-4-10-18(17)25(29)31;1-10-5-3-8-15(20-10)17-13(11(2)19)9-12-6-4-7-14(18)16(12)21-17/h3-13,15H,1-2H3;3-9,11H,19H2,1-2H3/t15-;11-/m00/s1
InChIKeyLVOACSHRFZSUGU-XNICRKRISA-N
XLogP9.89
TPSA114.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.68
LogP ≤ 59.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethanamine;2-[(1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione with MolForge

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Related Compounds

N-[7-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-heptyl]-2-(1,3-dioxo-1,3-dihydroisoindol-2-yl)acetamide
CID 10007264
N-[6-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-hexyl]-2-(1,3-dioxo-1,3-dihydroisoindol-2-yl)acetamide
CID 17989636
5-chloro-N-[3-[3-[(5-chloroacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide
CID 10555905
Benzamide, 4-chloro-N-(2-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)ethyl)-
CID 51629
N-[4-({2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethyl}(methyl)amino)butyl]-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide
CID 23644784
3-Chloro-7-[2-[4-[2-(3-chloro-6,8-dioxo-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-7-yl)ethylamino]butylamino]ethyl]-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione
CID 10258099
7-Chloro-10-[(4-methylpiperazin-1-yl)methyl]-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15,17,19-nonaen-14-one
CID 49863812
8-Chloro-10-[(4-methylpiperazin-1-yl)methyl]-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15,17,19-nonaen-14-one;hydrochloride
CID 49863841
4-chloro-2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-3H-pyrrolo[3,4-c]quinolin-1-one
CID 72198559
4-chloro-2-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-3H-pyrrolo[3,4-c]quinolin-1-one
CID 72198757
2-(3-chlorophenyl)-N-[(1S)-1-phenylethyl]-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxamide
CID 137636445
2-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxamide
CID 137645999

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethanamine;2-[(1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of (1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethanamine;2-[(1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione (CID 159468989) is (1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethanamine;2-[(1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for (1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethanamine;2-[(1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for (1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethanamine;2-[(1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione is Cc1cccc(-c2nc3c(Cl)cccc3cc2[C@H](C)N)n1.Cc1cccc(-c2nc3c(Cl)cccc3cc2[C@H](C)N2C(=O)c3ccccc3C2=O)n1.
What is the InChIKey of (1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethanamine;2-[(1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione?
The InChIKey is LVOACSHRFZSUGU-XNICRKRISA-N. The full InChI is InChI=1S/C25H18ClN3O2.C17H16ClN3/c1-14-7-5-12-21(27-14)23-19(13-16-8-6-11-20(26)22(16)28-23)15(2)29-24(30)17-9-3-4-10-18(17)25(29)31;1-10-5-3-8-15(20-10)17-13(11(2)19)9-12-6-4-7-14(18)16(12)21-17/h3-13,15H,1-2H3;3-9,11H,19H2,1-2H3/t15-;11-/m00/s1.
What are the key properties of (1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethanamine;2-[(1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione?
(1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethanamine;2-[(1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione has a molecular weight of 725.68 g/mol, XLogP of 9.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethanamine;2-[(1S)-1-[8-chloro-2-(6-methyl-2-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 159468989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).