5-[[5-(3-methoxypropyl)-1H-pyrazol-3-yl]amino]quinazolino[2,1-b]quinazolin-12-one

C22H20N6O2 — CID 11223312

IUPAC5-[[5-(3-methoxypropyl)-1H-pyrazol-3-yl]amino]quinazolino[2,1-b]quinazolin-12-one
SMILESCOCCCc1cc(Nc2nc3nc4ccccc4c(=O)n3c3ccccc23)n[nH]1
InChIInChI=1S/C22H20N6O2/c1-30-12-6-7-14-13-19(27-26-14)24-20-16-9-3-5-11-18(16)28-21(29)15-8-2-4-10-17(15)23-22(28)25-20/h2-5,8-11,13H,6-7,12H2,1H3,(H2,23,24,25,26,27)
InChIKeyOZBAZWCSGYJWPX-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.44
Rot. Bonds6

About 5-[[5-(3-methoxypropyl)-1H-pyrazol-3-yl]amino]quinazolino[2,1-b]quinazolin-12-one

5-[[5-(3-methoxypropyl)-1H-pyrazol-3-yl]amino]quinazolino[2,1-b]quinazolin-12-one (PubChem CID 11223312) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 5-[[5-(3-methoxypropyl)-1H-pyrazol-3-yl]amino]quinazolino[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name5-[[5-(3-methoxypropyl)-1H-pyrazol-3-yl]amino]quinazolino[2,1-b]quinazolin-12-one
PubChem CID11223312
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name5-[[5-(3-methoxypropyl)-1H-pyrazol-3-yl]amino]quinazolino[2,1-b]quinazolin-12-one
SMILESCOCCCc1cc(Nc2nc3nc4ccccc4c(=O)n3c3ccccc23)n[nH]1
InChIInChI=1S/C22H20N6O2/c1-30-12-6-7-14-13-19(27-26-14)24-20-16-9-3-5-11-18(16)28-21(29)15-8-2-4-10-17(15)23-22(28)25-20/h2-5,8-11,13H,6-7,12H2,1H3,(H2,23,24,25,26,27)
InChIKeyOZBAZWCSGYJWPX-UHFFFAOYSA-N
XLogP3.44
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
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

5-anilinoquinazolino[2,1-b]quinazolin-12-one
CID 11393590
5-(1,3-thiazol-2-ylamino)quinazolino[2,1-b]quinazolin-12-one
CID 11152144
5-[2-(dimethylamino)ethylamino]quinazolino[2,1-b]quinazolin-12-one
CID 134096041
5-methylquinolino[2,1-b]quinazolin-12-one
CID 14666352
[4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 46893654
2-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one
CID 11587983
ethane;8-(methylamino)-1,3,9,11-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-2(7),3,5,8,10,12,14,16-octaen-18-one
CID 91354060
2-N-(2-fluorophenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 170946131
2-[3-(4-fluorophenoxy)propylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-one
CID 112776655
2-(3-fluorophenyl)-2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]ethanol
CID 91267082
N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylquinazolin-4-amine
CID 11990505
2-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine
CID 154453023

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(3-methoxypropyl)-1H-pyrazol-3-yl]amino]quinazolino[2,1-b]quinazolin-12-one?
The IUPAC name of 5-[[5-(3-methoxypropyl)-1H-pyrazol-3-yl]amino]quinazolino[2,1-b]quinazolin-12-one (CID 11223312) is 5-[[5-(3-methoxypropyl)-1H-pyrazol-3-yl]amino]quinazolino[2,1-b]quinazolin-12-one.
What is the SMILES notation for 5-[[5-(3-methoxypropyl)-1H-pyrazol-3-yl]amino]quinazolino[2,1-b]quinazolin-12-one?
The canonical SMILES for 5-[[5-(3-methoxypropyl)-1H-pyrazol-3-yl]amino]quinazolino[2,1-b]quinazolin-12-one is COCCCc1cc(Nc2nc3nc4ccccc4c(=O)n3c3ccccc23)n[nH]1.
What is the InChIKey of 5-[[5-(3-methoxypropyl)-1H-pyrazol-3-yl]amino]quinazolino[2,1-b]quinazolin-12-one?
The InChIKey is OZBAZWCSGYJWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-30-12-6-7-14-13-19(27-26-14)24-20-16-9-3-5-11-18(16)28-21(29)15-8-2-4-10-17(15)23-22(28)25-20/h2-5,8-11,13H,6-7,12H2,1H3,(H2,23,24,25,26,27).
What are the key properties of 5-[[5-(3-methoxypropyl)-1H-pyrazol-3-yl]amino]quinazolino[2,1-b]quinazolin-12-one?
5-[[5-(3-methoxypropyl)-1H-pyrazol-3-yl]amino]quinazolino[2,1-b]quinazolin-12-one has a molecular weight of 400.44 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(3-methoxypropyl)-1H-pyrazol-3-yl]amino]quinazolino[2,1-b]quinazolin-12-one is sourced from PubChem (CID 11223312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).