3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one

C22H23N5O4 — CID 22577845

IUPAC3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one
SMILESO=C(Cn1cnc2nc3c(cc2c1=O)CCCC3)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H23N5O4/c28-19(25-7-9-26(10-8-25)22(30)18-6-3-11-31-18)13-27-14-23-20-16(21(27)29)12-15-4-1-2-5-17(15)24-20/h3,6,11-12,14H,1-2,4-5,7-10,13H2
InChIKeyIPOYHICCDCCWBC-UHFFFAOYSA-N
MW421.46 g/mol
LogP1.25
Rot. Bonds3

About 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one

3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one (PubChem CID 22577845) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one.

Molecular Properties

Compound Name3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one
PubChem CID22577845
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC Name3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one
SMILESO=C(Cn1cnc2nc3c(cc2c1=O)CCCC3)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H23N5O4/c28-19(25-7-9-26(10-8-25)22(30)18-6-3-11-31-18)13-27-14-23-20-16(21(27)29)12-15-4-1-2-5-17(15)24-20/h3,6,11-12,14H,1-2,4-5,7-10,13H2
InChIKeyIPOYHICCDCCWBC-UHFFFAOYSA-N
XLogP1.25
TPSA101.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one with MolForge

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Related Compounds

2-(10-oxo-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),2,7,12-tetraen-11-yl)acetic acid
CID 53213448
[4-(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 23802459
1-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperidin-2-one
CID 74239747
3-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one
CID 55486391
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-one
CID 110388603
N-(3-chloro-4-fluorophenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide
CID 22577823
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 1452094
1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 78789970
3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione
CID 26680979
3-[(2-chloro-6-fluorophenyl)methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one
CID 46353085
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 4858668

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one?
The IUPAC name of 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one (CID 22577845) is 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one.
What is the SMILES notation for 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one?
The canonical SMILES for 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one is O=C(Cn1cnc2nc3c(cc2c1=O)CCCC3)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one?
The InChIKey is IPOYHICCDCCWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c28-19(25-7-9-26(10-8-25)22(30)18-6-3-11-31-18)13-27-14-23-20-16(21(27)29)12-15-4-1-2-5-17(15)24-20/h3,6,11-12,14H,1-2,4-5,7-10,13H2.
What are the key properties of 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one?
3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one has a molecular weight of 421.46 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one is sourced from PubChem (CID 22577845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).