[3-(6-formyl-3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-morpholin-4-ylphenyl] carbamate

C23H27N3O4 — CID 173494489

IUPAC[3-(6-formyl-3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-morpholin-4-ylphenyl] carbamate
SMILESCC1(C)Cc2cc(C=O)ccc2NC1c1cc(OC(N)=O)cc(N2CCOCC2)c1
InChIInChI=1S/C23H27N3O4/c1-23(2)13-17-9-15(14-27)3-4-20(17)25-21(23)16-10-18(26-5-7-29-8-6-26)12-19(11-16)30-22(24)28/h3-4,9-12,14,21,25H,5-8,13H2,1-2H3,(H2,24,28)
InChIKeyUARCPAKYGFMPAW-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.53
Rot. Bonds4

About [3-(6-formyl-3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-morpholin-4-ylphenyl] carbamate

[3-(6-formyl-3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-morpholin-4-ylphenyl] carbamate (PubChem CID 173494489) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is [3-(6-formyl-3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-morpholin-4-ylphenyl] carbamate.

Molecular Properties

Compound Name[3-(6-formyl-3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-morpholin-4-ylphenyl] carbamate
PubChem CID173494489
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name[3-(6-formyl-3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-morpholin-4-ylphenyl] carbamate
SMILESCC1(C)Cc2cc(C=O)ccc2NC1c1cc(OC(N)=O)cc(N2CCOCC2)c1
InChIInChI=1S/C23H27N3O4/c1-23(2)13-17-9-15(14-27)3-4-20(17)25-21(23)16-10-18(26-5-7-29-8-6-26)12-19(11-16)30-22(24)28/h3-4,9-12,14,21,25H,5-8,13H2,1-2H3,(H2,24,28)
InChIKeyUARCPAKYGFMPAW-UHFFFAOYSA-N
XLogP3.53
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(6-formyl-3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-morpholin-4-ylphenyl] carbamate?
The IUPAC name of [3-(6-formyl-3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-morpholin-4-ylphenyl] carbamate (CID 173494489) is [3-(6-formyl-3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-morpholin-4-ylphenyl] carbamate.
What is the SMILES notation for [3-(6-formyl-3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-morpholin-4-ylphenyl] carbamate?
The canonical SMILES for [3-(6-formyl-3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-morpholin-4-ylphenyl] carbamate is CC1(C)Cc2cc(C=O)ccc2NC1c1cc(OC(N)=O)cc(N2CCOCC2)c1.
What is the InChIKey of [3-(6-formyl-3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-morpholin-4-ylphenyl] carbamate?
The InChIKey is UARCPAKYGFMPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-23(2)13-17-9-15(14-27)3-4-20(17)25-21(23)16-10-18(26-5-7-29-8-6-26)12-19(11-16)30-22(24)28/h3-4,9-12,14,21,25H,5-8,13H2,1-2H3,(H2,24,28).
What are the key properties of [3-(6-formyl-3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-morpholin-4-ylphenyl] carbamate?
[3-(6-formyl-3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-morpholin-4-ylphenyl] carbamate has a molecular weight of 409.49 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-formyl-3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-morpholin-4-ylphenyl] carbamate is sourced from PubChem (CID 173494489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).