1-butyl-4-pent-2-en-3-yloxy-3-propan-2-yloxy-7-(prop-2-enylamino)quinolin-2-one

C24H34N2O3 — CID 70248066

IUPAC1-butyl-4-pent-2-en-3-yloxy-3-propan-2-yloxy-7-(prop-2-enylamino)quinolin-2-one
SMILESC=CCNc1ccc2c(OC(=CC)CC)c(OC(C)C)c(=O)n(CCCC)c2c1
InChIInChI=1S/C24H34N2O3/c1-7-11-15-26-21-16-18(25-14-8-2)12-13-20(21)22(29-19(9-3)10-4)23(24(26)27)28-17(5)6/h8-9,12-13,16-17,25H,2,7,10-11,14-15H2,1,3-6H3
InChIKeyDPTYBGVJNPULRC-UHFFFAOYSA-N
MW398.55 g/mol
LogP5.88
Rot. Bonds11

About 1-butyl-4-pent-2-en-3-yloxy-3-propan-2-yloxy-7-(prop-2-enylamino)quinolin-2-one

1-butyl-4-pent-2-en-3-yloxy-3-propan-2-yloxy-7-(prop-2-enylamino)quinolin-2-one (PubChem CID 70248066) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is 1-butyl-4-pent-2-en-3-yloxy-3-propan-2-yloxy-7-(prop-2-enylamino)quinolin-2-one.

Molecular Properties

Compound Name1-butyl-4-pent-2-en-3-yloxy-3-propan-2-yloxy-7-(prop-2-enylamino)quinolin-2-one
PubChem CID70248066
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name1-butyl-4-pent-2-en-3-yloxy-3-propan-2-yloxy-7-(prop-2-enylamino)quinolin-2-one
SMILESC=CCNc1ccc2c(OC(=CC)CC)c(OC(C)C)c(=O)n(CCCC)c2c1
InChIInChI=1S/C24H34N2O3/c1-7-11-15-26-21-16-18(25-14-8-2)12-13-20(21)22(29-19(9-3)10-4)23(24(26)27)28-17(5)6/h8-9,12-13,16-17,25H,2,7,10-11,14-15H2,1,3-6H3
InChIKeyDPTYBGVJNPULRC-UHFFFAOYSA-N
XLogP5.88
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-pent-2-en-3-yloxy-3-propan-2-yloxy-7-(prop-2-enylamino)quinolin-2-one?
The IUPAC name of 1-butyl-4-pent-2-en-3-yloxy-3-propan-2-yloxy-7-(prop-2-enylamino)quinolin-2-one (CID 70248066) is 1-butyl-4-pent-2-en-3-yloxy-3-propan-2-yloxy-7-(prop-2-enylamino)quinolin-2-one.
What is the SMILES notation for 1-butyl-4-pent-2-en-3-yloxy-3-propan-2-yloxy-7-(prop-2-enylamino)quinolin-2-one?
The canonical SMILES for 1-butyl-4-pent-2-en-3-yloxy-3-propan-2-yloxy-7-(prop-2-enylamino)quinolin-2-one is C=CCNc1ccc2c(OC(=CC)CC)c(OC(C)C)c(=O)n(CCCC)c2c1.
What is the InChIKey of 1-butyl-4-pent-2-en-3-yloxy-3-propan-2-yloxy-7-(prop-2-enylamino)quinolin-2-one?
The InChIKey is DPTYBGVJNPULRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-7-11-15-26-21-16-18(25-14-8-2)12-13-20(21)22(29-19(9-3)10-4)23(24(26)27)28-17(5)6/h8-9,12-13,16-17,25H,2,7,10-11,14-15H2,1,3-6H3.
What are the key properties of 1-butyl-4-pent-2-en-3-yloxy-3-propan-2-yloxy-7-(prop-2-enylamino)quinolin-2-one?
1-butyl-4-pent-2-en-3-yloxy-3-propan-2-yloxy-7-(prop-2-enylamino)quinolin-2-one has a molecular weight of 398.55 g/mol, XLogP of 5.88, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-pent-2-en-3-yloxy-3-propan-2-yloxy-7-(prop-2-enylamino)quinolin-2-one is sourced from PubChem (CID 70248066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).