(7R)-2-(chloromethyl)-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione

C16H16ClN3O2 — CID 87673553

IUPAC(7R)-2-(chloromethyl)-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione
SMILESCN1C(=O)NC(=O)[C@@]12CC1=C(CC3=CC=C(CCl)NC3=C1)C2
InChIInChI=1S/C16H16ClN3O2/c1-20-15(22)19-14(21)16(20)6-10-4-9-2-3-12(8-17)18-13(9)5-11(10)7-16/h2-3,5,18H,4,6-8H2,1H3,(H,19,21,22)/t16-/m1/s1
InChIKeyBWVIILQRKGEDCW-MRXNPFEDSA-N
MW317.78 g/mol
LogP1.94
Rot. Bonds1

About (7R)-2-(chloromethyl)-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione

(7R)-2-(chloromethyl)-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione (PubChem CID 87673553) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is (7R)-2-(chloromethyl)-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(7R)-2-(chloromethyl)-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione
PubChem CID87673553
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name(7R)-2-(chloromethyl)-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione
SMILESCN1C(=O)NC(=O)[C@@]12CC1=C(CC3=CC=C(CCl)NC3=C1)C2
InChIInChI=1S/C16H16ClN3O2/c1-20-15(22)19-14(21)16(20)6-10-4-9-2-3-12(8-17)18-13(9)5-11(10)7-16/h2-3,5,18H,4,6-8H2,1H3,(H,19,21,22)/t16-/m1/s1
InChIKeyBWVIILQRKGEDCW-MRXNPFEDSA-N
XLogP1.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-(chloromethyl)-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (7R)-2-(chloromethyl)-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione (CID 87673553) is (7R)-2-(chloromethyl)-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (7R)-2-(chloromethyl)-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (7R)-2-(chloromethyl)-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione is CN1C(=O)NC(=O)[C@@]12CC1=C(CC3=CC=C(CCl)NC3=C1)C2.
What is the InChIKey of (7R)-2-(chloromethyl)-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione?
The InChIKey is BWVIILQRKGEDCW-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-20-15(22)19-14(21)16(20)6-10-4-9-2-3-12(8-17)18-13(9)5-11(10)7-16/h2-3,5,18H,4,6-8H2,1H3,(H,19,21,22)/t16-/m1/s1.
What are the key properties of (7R)-2-(chloromethyl)-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione?
(7R)-2-(chloromethyl)-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione has a molecular weight of 317.78 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-(chloromethyl)-1'-methylspiro[1,5,6,8-tetrahydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 87673553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).