3-aminocyclopentan-1-ol;6-bromo-4-chloro-3-nitroquinoline;3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol

C28H29Br2ClN6O6 — CID 160700939

IUPAC3-aminocyclopentan-1-ol;6-bromo-4-chloro-3-nitroquinoline;3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol
SMILESNC1CCC(O)C1.O=[N+]([O-])c1cnc2ccc(Br)cc2c1Cl.O=[N+]([O-])c1cnc2ccc(Br)cc2c1NC1CCC(O)C1
InChIInChI=1S/C14H14BrN3O3.C9H4BrClN2O2.C5H11NO/c15-8-1-4-12-11(5-8)14(13(7-16-12)18(20)21)17-9-2-3-10(19)6-9;10-5-1-2-7-6(3-5)9(11)8(4-12-7)13(14)15;6-4-1-2-5(7)3-4/h1,4-5,7,9-10,19H,2-3,6H2,(H,16,17);1-4H;4-5,7H,1-3,6H2
InChIKeyRQPIHAKVEHIZPX-UHFFFAOYSA-N
MW740.84 g/mol
LogP6.65
Rot. Bonds4

About 3-aminocyclopentan-1-ol;6-bromo-4-chloro-3-nitroquinoline;3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol

3-aminocyclopentan-1-ol;6-bromo-4-chloro-3-nitroquinoline;3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol (PubChem CID 160700939) has the molecular formula C28H29Br2ClN6O6 and a molecular weight of 740.84 g/mol. Its IUPAC name is 3-aminocyclopentan-1-ol;6-bromo-4-chloro-3-nitroquinoline;3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Name3-aminocyclopentan-1-ol;6-bromo-4-chloro-3-nitroquinoline;3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol
PubChem CID160700939
Molecular FormulaC28H29Br2ClN6O6
Molecular Weight740.84 g/mol
Exact Mass738.02
IUPAC Name3-aminocyclopentan-1-ol;6-bromo-4-chloro-3-nitroquinoline;3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol
SMILESNC1CCC(O)C1.O=[N+]([O-])c1cnc2ccc(Br)cc2c1Cl.O=[N+]([O-])c1cnc2ccc(Br)cc2c1NC1CCC(O)C1
InChIInChI=1S/C14H14BrN3O3.C9H4BrClN2O2.C5H11NO/c15-8-1-4-12-11(5-8)14(13(7-16-12)18(20)21)17-9-2-3-10(19)6-9;10-5-1-2-7-6(3-5)9(11)8(4-12-7)13(14)15;6-4-1-2-5(7)3-4/h1,4-5,7,9-10,19H,2-3,6H2,(H,16,17);1-4H;4-5,7H,1-3,6H2
InChIKeyRQPIHAKVEHIZPX-UHFFFAOYSA-N
XLogP6.65
TPSA190.57 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.84
LogP ≤ 56.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-aminocyclopentan-1-ol;6-bromo-4-chloro-3-nitroquinoline;3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

4-[(6-Bromo-3-nitroquinolin-4-yl)amino]cyclohexan-1-ol
CID 45876142
3-[(6-Bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol
CID 118101709
3-[(6-Bromo-3-nitroquinolin-4-yl)amino]cyclohexan-1-ol
CID 118101754
4-[[(6-Bromo-3-nitroquinolin-4-yl)amino]methyl]cyclohexan-1-ol
CID 147425307
4-[(6-bromo-2-chloro-3-nitro-4-quinolinyl)amino]-1-Butanol
CID 155128318
4-Aminocyclohexan-1-ol;6-bromo-4-chloro-3-nitroquinoline;4-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclohexan-1-ol
CID 157973633
3-Aminocyclohexan-1-ol;6-bromo-4-chloro-3-nitroquinoline;3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclohexan-1-ol
CID 158074288
6-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-nitroquinolin-4-amine;4-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclohexan-1-ol;tert-butyl-chloro-dimethylsilane;methane
CID 158107084
6-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-nitroquinolin-4-amine;6-bromo-4-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]quinoline-3,4-diamine;ethanol
CID 158846394
4-Amino-1-methylcyclohexan-1-ol;6-bromo-4-chloro-3-nitroquinoline;4-[(6-bromo-3-nitroquinolin-4-yl)amino]-1-methylcyclohexan-1-ol
CID 159078524
4-[(3-Amino-6-bromoquinolin-4-yl)amino]-1-methylcyclohexan-1-ol;4-[(6-bromo-3-nitroquinolin-4-yl)amino]-1-methylcyclohexan-1-ol;ethanol
CID 159390174
6-bromo-4-chloro-3-nitroquinoline;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[(6-bromo-3-nitroquinolin-4-yl)amino]ethyl]carbamate
CID 160821006

Frequently Asked Questions

What is the IUPAC name of 3-aminocyclopentan-1-ol;6-bromo-4-chloro-3-nitroquinoline;3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol?
The IUPAC name of 3-aminocyclopentan-1-ol;6-bromo-4-chloro-3-nitroquinoline;3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol (CID 160700939) is 3-aminocyclopentan-1-ol;6-bromo-4-chloro-3-nitroquinoline;3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol.
What is the SMILES notation for 3-aminocyclopentan-1-ol;6-bromo-4-chloro-3-nitroquinoline;3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol?
The canonical SMILES for 3-aminocyclopentan-1-ol;6-bromo-4-chloro-3-nitroquinoline;3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol is NC1CCC(O)C1.O=[N+]([O-])c1cnc2ccc(Br)cc2c1Cl.O=[N+]([O-])c1cnc2ccc(Br)cc2c1NC1CCC(O)C1.
What is the InChIKey of 3-aminocyclopentan-1-ol;6-bromo-4-chloro-3-nitroquinoline;3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol?
The InChIKey is RQPIHAKVEHIZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3.C9H4BrClN2O2.C5H11NO/c15-8-1-4-12-11(5-8)14(13(7-16-12)18(20)21)17-9-2-3-10(19)6-9;10-5-1-2-7-6(3-5)9(11)8(4-12-7)13(14)15;6-4-1-2-5(7)3-4/h1,4-5,7,9-10,19H,2-3,6H2,(H,16,17);1-4H;4-5,7H,1-3,6H2.
What are the key properties of 3-aminocyclopentan-1-ol;6-bromo-4-chloro-3-nitroquinoline;3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol?
3-aminocyclopentan-1-ol;6-bromo-4-chloro-3-nitroquinoline;3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol has a molecular weight of 740.84 g/mol, XLogP of 6.65, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminocyclopentan-1-ol;6-bromo-4-chloro-3-nitroquinoline;3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol is sourced from PubChem (CID 160700939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).