[1-[2-[(2-oxo-1H-quinolin-7-yl)amino]furo[3,2-d]pyrimidin-4-yl]piperidin-4-yl]methylcarbamic acid

C22H22N6O4 — CID 68753237

IUPAC[1-[2-[(2-oxo-1H-quinolin-7-yl)amino]furo[3,2-d]pyrimidin-4-yl]piperidin-4-yl]methylcarbamic acid
SMILESO=C(O)NCC1CCN(c2nc(Nc3ccc4ccc(=O)[nH]c4c3)nc3ccoc23)CC1
InChIInChI=1S/C22H22N6O4/c29-18-4-2-14-1-3-15(11-17(14)25-18)24-21-26-16-7-10-32-19(16)20(27-21)28-8-5-13(6-9-28)12-23-22(30)31/h1-4,7,10-11,13,23H,5-6,8-9,12H2,(H,25,29)(H,30,31)(H,24,26,27)
InChIKeyBZSNSQJLRJJAIW-UHFFFAOYSA-N
MW434.46 g/mol
LogP3.29
Rot. Bonds5

About [1-[2-[(2-oxo-1H-quinolin-7-yl)amino]furo[3,2-d]pyrimidin-4-yl]piperidin-4-yl]methylcarbamic acid

[1-[2-[(2-oxo-1H-quinolin-7-yl)amino]furo[3,2-d]pyrimidin-4-yl]piperidin-4-yl]methylcarbamic acid (PubChem CID 68753237) has the molecular formula C22H22N6O4 and a molecular weight of 434.46 g/mol. Its IUPAC name is [1-[2-[(2-oxo-1H-quinolin-7-yl)amino]furo[3,2-d]pyrimidin-4-yl]piperidin-4-yl]methylcarbamic acid.

Molecular Properties

Compound Name[1-[2-[(2-oxo-1H-quinolin-7-yl)amino]furo[3,2-d]pyrimidin-4-yl]piperidin-4-yl]methylcarbamic acid
PubChem CID68753237
Molecular FormulaC22H22N6O4
Molecular Weight434.46 g/mol
Exact Mass434.17
IUPAC Name[1-[2-[(2-oxo-1H-quinolin-7-yl)amino]furo[3,2-d]pyrimidin-4-yl]piperidin-4-yl]methylcarbamic acid
SMILESO=C(O)NCC1CCN(c2nc(Nc3ccc4ccc(=O)[nH]c4c3)nc3ccoc23)CC1
InChIInChI=1S/C22H22N6O4/c29-18-4-2-14-1-3-15(11-17(14)25-18)24-21-26-16-7-10-32-19(16)20(27-21)28-8-5-13(6-9-28)12-23-22(30)31/h1-4,7,10-11,13,23H,5-6,8-9,12H2,(H,25,29)(H,30,31)(H,24,26,27)
InChIKeyBZSNSQJLRJJAIW-UHFFFAOYSA-N
XLogP3.29
TPSA136.38 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 53.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

7-[[4-[4-(aminomethyl)piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one
CID 67129984
[1-[2-[4-[acetyl(methyl)amino]anilino]furo[3,2-d]pyrimidin-4-yl]piperidin-4-yl]methylcarbamic acid
CID 68753385
methyl-[[1-[2-[(1-methylindazol-5-yl)amino]furo[3,2-d]pyrimidin-4-yl]piperidin-4-yl]methyl]carbamic acid
CID 68752411
6-[[4-[4-(4-fluorobutyl)piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one
CID 158807476
2-[1-[2-[4-(4-acetylpiperazin-1-yl)anilino]furo[3,2-d]pyrimidin-4-yl]piperidin-4-yl]ethyl carbamate
CID 68754004
1-[4-[4-[[4-[4-[(dimethylamino)methyl]piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
CID 56959209
tert-butyl N-[[1-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]furo[3,2-d]pyrimidin-4-yl]-4-methylpiperidin-4-yl]methyl]carbamate
CID 140580838
6-[[4-[4-[(2-fluoroethylamino)methyl]piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one
CID 141343217
6-[[4-[4-(aminomethyl)-4-ethylpiperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 70143197
4-(2,8-diazaspiro[4.5]decan-8-yl)-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine
CID 66980526
6-[[4-[(3S,4S)-3-(aminomethyl)-4-methylpyrrolidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 70141882
2,2-dimethyl-6-[[4-(piperidin-4-ylmethylamino)furo[3,2-d]pyrimidin-2-yl]amino]-4H-1,4-benzoxazin-3-one
CID 68749370

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(2-oxo-1H-quinolin-7-yl)amino]furo[3,2-d]pyrimidin-4-yl]piperidin-4-yl]methylcarbamic acid?
The IUPAC name of [1-[2-[(2-oxo-1H-quinolin-7-yl)amino]furo[3,2-d]pyrimidin-4-yl]piperidin-4-yl]methylcarbamic acid (CID 68753237) is [1-[2-[(2-oxo-1H-quinolin-7-yl)amino]furo[3,2-d]pyrimidin-4-yl]piperidin-4-yl]methylcarbamic acid.
What is the SMILES notation for [1-[2-[(2-oxo-1H-quinolin-7-yl)amino]furo[3,2-d]pyrimidin-4-yl]piperidin-4-yl]methylcarbamic acid?
The canonical SMILES for [1-[2-[(2-oxo-1H-quinolin-7-yl)amino]furo[3,2-d]pyrimidin-4-yl]piperidin-4-yl]methylcarbamic acid is O=C(O)NCC1CCN(c2nc(Nc3ccc4ccc(=O)[nH]c4c3)nc3ccoc23)CC1.
What is the InChIKey of [1-[2-[(2-oxo-1H-quinolin-7-yl)amino]furo[3,2-d]pyrimidin-4-yl]piperidin-4-yl]methylcarbamic acid?
The InChIKey is BZSNSQJLRJJAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O4/c29-18-4-2-14-1-3-15(11-17(14)25-18)24-21-26-16-7-10-32-19(16)20(27-21)28-8-5-13(6-9-28)12-23-22(30)31/h1-4,7,10-11,13,23H,5-6,8-9,12H2,(H,25,29)(H,30,31)(H,24,26,27).
What are the key properties of [1-[2-[(2-oxo-1H-quinolin-7-yl)amino]furo[3,2-d]pyrimidin-4-yl]piperidin-4-yl]methylcarbamic acid?
[1-[2-[(2-oxo-1H-quinolin-7-yl)amino]furo[3,2-d]pyrimidin-4-yl]piperidin-4-yl]methylcarbamic acid has a molecular weight of 434.46 g/mol, XLogP of 3.29, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(2-oxo-1H-quinolin-7-yl)amino]furo[3,2-d]pyrimidin-4-yl]piperidin-4-yl]methylcarbamic acid is sourced from PubChem (CID 68753237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).