2,4-dichloro-7-methoxy-1,2-dihydroquinoline

C10H9Cl2NO — CID 129195506

IUPAC2,4-dichloro-7-methoxy-1,2-dihydroquinoline
SMILESCOc1ccc2c(c1)NC(Cl)C=C2Cl
InChIInChI=1S/C10H9Cl2NO/c1-14-6-2-3-7-8(11)5-10(12)13-9(7)4-6/h2-5,10,13H,1H3
InChIKeyCTLQRJIBMBAAHD-UHFFFAOYSA-N
MW230.09 g/mol
LogP3.27
Rot. Bonds1

About 2,4-dichloro-7-methoxy-1,2-dihydroquinoline

2,4-dichloro-7-methoxy-1,2-dihydroquinoline (PubChem CID 129195506) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is 2,4-dichloro-7-methoxy-1,2-dihydroquinoline.

Molecular Properties

Compound Name2,4-dichloro-7-methoxy-1,2-dihydroquinoline
PubChem CID129195506
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC Name2,4-dichloro-7-methoxy-1,2-dihydroquinoline
SMILESCOc1ccc2c(c1)NC(Cl)C=C2Cl
InChIInChI=1S/C10H9Cl2NO/c1-14-6-2-3-7-8(11)5-10(12)13-9(7)4-6/h2-5,10,13H,1H3
InChIKeyCTLQRJIBMBAAHD-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-chloro-7-methoxy-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
CID 56971736
5-methoxy-2-methyl-2,3-dihydro-1H-benzimidazole
CID 143474953
5-methoxy-2,3-dihydro-1H-benzimidazol-2-amine
CID 86340464
(4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline
CID 96629809
8-methoxy-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 83218286
4,7-dimethoxy-1,2,3,4-tetrahydroquinoline
CID 82275550
7-methoxy-2-[1-(methylamino)ethenyl]-1,2-dihydroquinolin-4-ol;propan-2-amine
CID 143643341
1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 134628384
1,3-dichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 119018458
2,7,9-trimethoxy-9H-fluorene
CID 155898925
9-methoxy-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
CID 131887871
2-chloro-5-methoxy-1-benzofuran-3-one
CID 46187269

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-7-methoxy-1,2-dihydroquinoline?
The IUPAC name of 2,4-dichloro-7-methoxy-1,2-dihydroquinoline (CID 129195506) is 2,4-dichloro-7-methoxy-1,2-dihydroquinoline.
What is the SMILES notation for 2,4-dichloro-7-methoxy-1,2-dihydroquinoline?
The canonical SMILES for 2,4-dichloro-7-methoxy-1,2-dihydroquinoline is COc1ccc2c(c1)NC(Cl)C=C2Cl.
What is the InChIKey of 2,4-dichloro-7-methoxy-1,2-dihydroquinoline?
The InChIKey is CTLQRJIBMBAAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c1-14-6-2-3-7-8(11)5-10(12)13-9(7)4-6/h2-5,10,13H,1H3.
What are the key properties of 2,4-dichloro-7-methoxy-1,2-dihydroquinoline?
2,4-dichloro-7-methoxy-1,2-dihydroquinoline has a molecular weight of 230.09 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-7-methoxy-1,2-dihydroquinoline is sourced from PubChem (CID 129195506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).