7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one

C16H22N4O3 — CID 135518202

IUPAC7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESCC(C)NCC(O)COc1ccc2c(c1)CN1CC(=O)NC1=N2
InChIInChI=1S/C16H22N4O3/c1-10(2)17-6-12(21)9-23-13-3-4-14-11(5-13)7-20-8-15(22)19-16(20)18-14/h3-5,10,12,17,21H,6-9H2,1-2H3,(H,18,19,22)
InChIKeyCVZVXWDUCAZXCO-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.36
Rot. Bonds6

About 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one

7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (PubChem CID 135518202) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.

Molecular Properties

Compound Name7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
PubChem CID135518202
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESCC(C)NCC(O)COc1ccc2c(c1)CN1CC(=O)NC1=N2
InChIInChI=1S/C16H22N4O3/c1-10(2)17-6-12(21)9-23-13-3-4-14-11(5-13)7-20-8-15(22)19-16(20)18-14/h3-5,10,12,17,21H,6-9H2,1-2H3,(H,18,19,22)
InChIKeyCVZVXWDUCAZXCO-UHFFFAOYSA-N
XLogP0.36
TPSA86.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one with MolForge

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Related Compounds

1-[1-cyclopentylpropyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]ethyl acetate
CID 135626763
N-(cyclopentylmethyl)-N-(2-hydroxyethyl)-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
CID 135626766
2-[2-hydroxy-5-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 101042913
1-(4-chloro-3-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 43247705
4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 6328341
(2R)-1-(4-morpholin-4-ylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 125487728
2-oxo-4-(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)butanoic acid
CID 151739314
1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 155667891
1-[4-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 44537247
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 16812220
(2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 91927663
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464

Frequently Asked Questions

What is the IUPAC name of 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The IUPAC name of 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (CID 135518202) is 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.
What is the SMILES notation for 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The canonical SMILES for 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is CC(C)NCC(O)COc1ccc2c(c1)CN1CC(=O)NC1=N2.
What is the InChIKey of 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The InChIKey is CVZVXWDUCAZXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-10(2)17-6-12(21)9-23-13-3-4-14-11(5-13)7-20-8-15(22)19-16(20)18-14/h3-5,10,12,17,21H,6-9H2,1-2H3,(H,18,19,22).
What are the key properties of 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one has a molecular weight of 318.38 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is sourced from PubChem (CID 135518202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).