7-[(3-chloro-2-hydroxypropyl)amino]-1H-benzo[cd]indol-2-one

C14H13ClN2O2 — CID 155511664

IUPAC7-[(3-chloro-2-hydroxypropyl)amino]-1H-benzo[cd]indol-2-one
SMILESO=C1Nc2cc(NCC(O)CCl)cc3cccc1c23
InChIInChI=1S/C14H13ClN2O2/c15-6-10(18)7-16-9-4-8-2-1-3-11-13(8)12(5-9)17-14(11)19/h1-5,10,16,18H,6-7H2,(H,17,19)
InChIKeyGJTQRBFGQJENLO-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.42
Rot. Bonds4

About 7-[(3-chloro-2-hydroxypropyl)amino]-1H-benzo[cd]indol-2-one

7-[(3-chloro-2-hydroxypropyl)amino]-1H-benzo[cd]indol-2-one (PubChem CID 155511664) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 7-[(3-chloro-2-hydroxypropyl)amino]-1H-benzo[cd]indol-2-one.

Molecular Properties

Compound Name7-[(3-chloro-2-hydroxypropyl)amino]-1H-benzo[cd]indol-2-one
PubChem CID155511664
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name7-[(3-chloro-2-hydroxypropyl)amino]-1H-benzo[cd]indol-2-one
SMILESO=C1Nc2cc(NCC(O)CCl)cc3cccc1c23
InChIInChI=1S/C14H13ClN2O2/c15-6-10(18)7-16-9-4-8-2-1-3-11-13(8)12(5-9)17-14(11)19/h1-5,10,16,18H,6-7H2,(H,17,19)
InChIKeyGJTQRBFGQJENLO-UHFFFAOYSA-N
XLogP2.42
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-chloro-2-hydroxypropyl)amino]-1H-benzo[cd]indol-2-one?
The IUPAC name of 7-[(3-chloro-2-hydroxypropyl)amino]-1H-benzo[cd]indol-2-one (CID 155511664) is 7-[(3-chloro-2-hydroxypropyl)amino]-1H-benzo[cd]indol-2-one.
What is the SMILES notation for 7-[(3-chloro-2-hydroxypropyl)amino]-1H-benzo[cd]indol-2-one?
The canonical SMILES for 7-[(3-chloro-2-hydroxypropyl)amino]-1H-benzo[cd]indol-2-one is O=C1Nc2cc(NCC(O)CCl)cc3cccc1c23.
What is the InChIKey of 7-[(3-chloro-2-hydroxypropyl)amino]-1H-benzo[cd]indol-2-one?
The InChIKey is GJTQRBFGQJENLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-6-10(18)7-16-9-4-8-2-1-3-11-13(8)12(5-9)17-14(11)19/h1-5,10,16,18H,6-7H2,(H,17,19).
What are the key properties of 7-[(3-chloro-2-hydroxypropyl)amino]-1H-benzo[cd]indol-2-one?
7-[(3-chloro-2-hydroxypropyl)amino]-1H-benzo[cd]indol-2-one has a molecular weight of 276.72 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-chloro-2-hydroxypropyl)amino]-1H-benzo[cd]indol-2-one is sourced from PubChem (CID 155511664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).