8-(3-morpholin-4-ylpropoxy)-2-pyridin-2-yl-5,6-dihydrobenzo[h]cinnolin-3-one

C24H26N4O3 — CID 19824998

IUPAC8-(3-morpholin-4-ylpropoxy)-2-pyridin-2-yl-5,6-dihydrobenzo[h]cinnolin-3-one
SMILESO=c1cc2c(nn1-c1ccccn1)-c1ccc(OCCCN3CCOCC3)cc1CC2
InChIInChI=1S/C24H26N4O3/c29-23-17-19-6-5-18-16-20(31-13-3-10-27-11-14-30-15-12-27)7-8-21(18)24(19)26-28(23)22-4-1-2-9-25-22/h1-2,4,7-9,16-17H,3,5-6,10-15H2
InChIKeyPKIIQAGCHQQVOW-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.49
Rot. Bonds6

About 8-(3-morpholin-4-ylpropoxy)-2-pyridin-2-yl-5,6-dihydrobenzo[h]cinnolin-3-one

8-(3-morpholin-4-ylpropoxy)-2-pyridin-2-yl-5,6-dihydrobenzo[h]cinnolin-3-one (PubChem CID 19824998) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 8-(3-morpholin-4-ylpropoxy)-2-pyridin-2-yl-5,6-dihydrobenzo[h]cinnolin-3-one.

Molecular Properties

Compound Name8-(3-morpholin-4-ylpropoxy)-2-pyridin-2-yl-5,6-dihydrobenzo[h]cinnolin-3-one
PubChem CID19824998
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name8-(3-morpholin-4-ylpropoxy)-2-pyridin-2-yl-5,6-dihydrobenzo[h]cinnolin-3-one
SMILESO=c1cc2c(nn1-c1ccccn1)-c1ccc(OCCCN3CCOCC3)cc1CC2
InChIInChI=1S/C24H26N4O3/c29-23-17-19-6-5-18-16-20(31-13-3-10-27-11-14-30-15-12-27)7-8-21(18)24(19)26-28(23)22-4-1-2-9-25-22/h1-2,4,7-9,16-17H,3,5-6,10-15H2
InChIKeyPKIIQAGCHQQVOW-UHFFFAOYSA-N
XLogP2.49
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 8-(3-morpholin-4-ylpropoxy)-2-pyridin-2-yl-5,6-dihydrobenzo[h]cinnolin-3-one with MolForge

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Related Compounds

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CID 86301465
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N-[3-[(E)-[6-(2-morpholin-4-ylethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]methyl]phenyl]methanesulfonamide
CID 59770363
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CID 139836432
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CID 47520354
4-[3-[(4-naphthalen-2-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-yl)oxy]propyl]morpholine
CID 71577863
4-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]morpholine
CID 69000749
5-(2-morpholin-4-ylethoxy)-3-phenyl-2-pyridin-3-ylinden-1-one
CID 51002145
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
(NZ)-N-[5-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
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Frequently Asked Questions

What is the IUPAC name of 8-(3-morpholin-4-ylpropoxy)-2-pyridin-2-yl-5,6-dihydrobenzo[h]cinnolin-3-one?
The IUPAC name of 8-(3-morpholin-4-ylpropoxy)-2-pyridin-2-yl-5,6-dihydrobenzo[h]cinnolin-3-one (CID 19824998) is 8-(3-morpholin-4-ylpropoxy)-2-pyridin-2-yl-5,6-dihydrobenzo[h]cinnolin-3-one.
What is the SMILES notation for 8-(3-morpholin-4-ylpropoxy)-2-pyridin-2-yl-5,6-dihydrobenzo[h]cinnolin-3-one?
The canonical SMILES for 8-(3-morpholin-4-ylpropoxy)-2-pyridin-2-yl-5,6-dihydrobenzo[h]cinnolin-3-one is O=c1cc2c(nn1-c1ccccn1)-c1ccc(OCCCN3CCOCC3)cc1CC2.
What is the InChIKey of 8-(3-morpholin-4-ylpropoxy)-2-pyridin-2-yl-5,6-dihydrobenzo[h]cinnolin-3-one?
The InChIKey is PKIIQAGCHQQVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-23-17-19-6-5-18-16-20(31-13-3-10-27-11-14-30-15-12-27)7-8-21(18)24(19)26-28(23)22-4-1-2-9-25-22/h1-2,4,7-9,16-17H,3,5-6,10-15H2.
What are the key properties of 8-(3-morpholin-4-ylpropoxy)-2-pyridin-2-yl-5,6-dihydrobenzo[h]cinnolin-3-one?
8-(3-morpholin-4-ylpropoxy)-2-pyridin-2-yl-5,6-dihydrobenzo[h]cinnolin-3-one has a molecular weight of 418.50 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-morpholin-4-ylpropoxy)-2-pyridin-2-yl-5,6-dihydrobenzo[h]cinnolin-3-one is sourced from PubChem (CID 19824998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).