5-(3-morpholin-4-ylpropylamino)quinazolino[2,3-a]phthalazin-8-one

C22H23N5O2 — CID 2325577

IUPAC5-(3-morpholin-4-ylpropylamino)quinazolino[2,3-a]phthalazin-8-one
SMILESO=c1c2ccccc2nc2c3ccccc3c(NCCCN3CCOCC3)nn12
InChIInChI=1S/C22H23N5O2/c28-22-18-8-3-4-9-19(18)24-21-17-7-2-1-6-16(17)20(25-27(21)22)23-10-5-11-26-12-14-29-15-13-26/h1-4,6-9H,5,10-15H2,(H,23,25)
InChIKeyYMADJEDBHKSHDN-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.53
Rot. Bonds5

About 5-(3-morpholin-4-ylpropylamino)quinazolino[2,3-a]phthalazin-8-one

5-(3-morpholin-4-ylpropylamino)quinazolino[2,3-a]phthalazin-8-one (PubChem CID 2325577) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-(3-morpholin-4-ylpropylamino)quinazolino[2,3-a]phthalazin-8-one.

Molecular Properties

Compound Name5-(3-morpholin-4-ylpropylamino)quinazolino[2,3-a]phthalazin-8-one
PubChem CID2325577
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name5-(3-morpholin-4-ylpropylamino)quinazolino[2,3-a]phthalazin-8-one
SMILESO=c1c2ccccc2nc2c3ccccc3c(NCCCN3CCOCC3)nn12
InChIInChI=1S/C22H23N5O2/c28-22-18-8-3-4-9-19(18)24-21-17-7-2-1-6-16(17)20(25-27(21)22)23-10-5-11-26-12-14-29-15-13-26/h1-4,6-9H,5,10-15H2,(H,23,25)
InChIKeyYMADJEDBHKSHDN-UHFFFAOYSA-N
XLogP2.53
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 22692931
13,14-dimethyl-8-(2-morpholin-4-ylethylamino)-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaen-11-one
CID 1276155
2-hydrazinyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 66572559
2-ethylsulfanyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 69241562
7-methyl-20-(2-morpholin-4-ylethylamino)-10-thia-1,12,21-triazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4(9),12,14,16,18,20-heptaen-2-one
CID 3692010
(7R)-7-methyl-20-(2-morpholin-4-ylethylamino)-10-thia-1,12,21-triazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4(9),12,14,16,18,20-heptaen-2-one
CID 1276166
N-[3-(3-morpholin-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide
CID 6471959
4-chloro-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine
CID 62141191
N-[3-[4-[3-(acridin-9-ylamino)propyl]piperazin-1-yl]propyl]acridin-9-amine;dihydrochloride
CID 21144905
2-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]quinazolin-5-amine
CID 34044453
N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 61340085
2-(2-morpholin-4-ylethylamino)-3H-quinazolin-4-one
CID 136779605

Frequently Asked Questions

What is the IUPAC name of 5-(3-morpholin-4-ylpropylamino)quinazolino[2,3-a]phthalazin-8-one?
The IUPAC name of 5-(3-morpholin-4-ylpropylamino)quinazolino[2,3-a]phthalazin-8-one (CID 2325577) is 5-(3-morpholin-4-ylpropylamino)quinazolino[2,3-a]phthalazin-8-one.
What is the SMILES notation for 5-(3-morpholin-4-ylpropylamino)quinazolino[2,3-a]phthalazin-8-one?
The canonical SMILES for 5-(3-morpholin-4-ylpropylamino)quinazolino[2,3-a]phthalazin-8-one is O=c1c2ccccc2nc2c3ccccc3c(NCCCN3CCOCC3)nn12.
What is the InChIKey of 5-(3-morpholin-4-ylpropylamino)quinazolino[2,3-a]phthalazin-8-one?
The InChIKey is YMADJEDBHKSHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-22-18-8-3-4-9-19(18)24-21-17-7-2-1-6-16(17)20(25-27(21)22)23-10-5-11-26-12-14-29-15-13-26/h1-4,6-9H,5,10-15H2,(H,23,25).
What are the key properties of 5-(3-morpholin-4-ylpropylamino)quinazolino[2,3-a]phthalazin-8-one?
5-(3-morpholin-4-ylpropylamino)quinazolino[2,3-a]phthalazin-8-one has a molecular weight of 389.46 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-morpholin-4-ylpropylamino)quinazolino[2,3-a]phthalazin-8-one is sourced from PubChem (CID 2325577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).