7-[[4-[4-[(2,2-difluoroethylamino)methyl]piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-3-methyl-1H-quinolin-2-one

C24H26F2N6O2 — CID 87560611

IUPAC7-[[4-[4-[(2,2-difluoroethylamino)methyl]piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-3-methyl-1H-quinolin-2-one
SMILESCc1cc2ccc(Nc3nc(N4CCC(CNCC(F)F)CC4)c4occc4n3)cc2[nH]c1=O
InChIInChI=1S/C24H26F2N6O2/c1-14-10-16-2-3-17(11-19(16)29-23(14)33)28-24-30-18-6-9-34-21(18)22(31-24)32-7-4-15(5-8-32)12-27-13-20(25)26/h2-3,6,9-11,15,20,27H,4-5,7-8,12-13H2,1H3,(H,29,33)(H,28,30,31)
InChIKeyIXHIZXYZZFYBOW-UHFFFAOYSA-N
MW468.51 g/mol
LogP4.19
Rot. Bonds7

About 7-[[4-[4-[(2,2-difluoroethylamino)methyl]piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-3-methyl-1H-quinolin-2-one

7-[[4-[4-[(2,2-difluoroethylamino)methyl]piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-3-methyl-1H-quinolin-2-one (PubChem CID 87560611) has the molecular formula C24H26F2N6O2 and a molecular weight of 468.51 g/mol. Its IUPAC name is 7-[[4-[4-[(2,2-difluoroethylamino)methyl]piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-3-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[[4-[4-[(2,2-difluoroethylamino)methyl]piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-3-methyl-1H-quinolin-2-one
PubChem CID87560611
Molecular FormulaC24H26F2N6O2
Molecular Weight468.51 g/mol
Exact Mass468.21
IUPAC Name7-[[4-[4-[(2,2-difluoroethylamino)methyl]piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-3-methyl-1H-quinolin-2-one
SMILESCc1cc2ccc(Nc3nc(N4CCC(CNCC(F)F)CC4)c4occc4n3)cc2[nH]c1=O
InChIInChI=1S/C24H26F2N6O2/c1-14-10-16-2-3-17(11-19(16)29-23(14)33)28-24-30-18-6-9-34-21(18)22(31-24)32-7-4-15(5-8-32)12-27-13-20(25)26/h2-3,6,9-11,15,20,27H,4-5,7-8,12-13H2,1H3,(H,29,33)(H,28,30,31)
InChIKeyIXHIZXYZZFYBOW-UHFFFAOYSA-N
XLogP4.19
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 7-[[4-[4-[(2,2-difluoroethylamino)methyl]piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-3-methyl-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

N2-(4-Fluorophenyl)-N4-(furan-2-ylmethyl)quinazoline-2,4-diamine hydrochloride
CID 2908985
N~4~-Cyclopropyl-N~2~-(3-Methyl-1h-Indazol-6-Yl)furo[3,2-D]pyrimidine-2,4-Diamine
CID 67130050
1-(2-Chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
CID 134611710
N4-(furan-2-ylmethyl)-N2-(2-methoxyphenyl)quinazoline-2,4-diamine hydrochloride
CID 16682278
2-methyl-N-(3-morpholinopropyl)benzofuro[3,2-d]pyrimidin-4-amine hydrochloride
CID 6602794
2-methyl-N-(2-morpholinoethyl)benzofuro[3,2-d]pyrimidin-4-amine hydrochloride
CID 6603370
N~4~-(furan-2-ylmethyl)-N~2~-(4-methylphenyl)quinazoline-2,4-diamine
CID 886392
4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-furo[3,2-b]pyridin-5-yl]-benzamide
CID 9863365
2,4,6-Trifluoro-N-[3-(1-methyl-piperidin-4-yl)-furo[3,2-b]pyridin-5-yl]-benzamide
CID 10000386
2-(2-propan-2-ylphenyl)-N-[(4-pyridin-3-ylphenyl)methyl]furo[3,2-d]pyrimidin-4-amine
CID 60167905
N-propyl-4-[[4-(2,2,2-trifluoroethylamino)furo[3,2-d]pyrimidin-2-yl]amino]benzamide
CID 67129951
N2-(1H-indazol-6-yl)-N4-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine
CID 67129970

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[4-[(2,2-difluoroethylamino)methyl]piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-3-methyl-1H-quinolin-2-one?
The IUPAC name of 7-[[4-[4-[(2,2-difluoroethylamino)methyl]piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-3-methyl-1H-quinolin-2-one (CID 87560611) is 7-[[4-[4-[(2,2-difluoroethylamino)methyl]piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-3-methyl-1H-quinolin-2-one.
What is the SMILES notation for 7-[[4-[4-[(2,2-difluoroethylamino)methyl]piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-3-methyl-1H-quinolin-2-one?
The canonical SMILES for 7-[[4-[4-[(2,2-difluoroethylamino)methyl]piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-3-methyl-1H-quinolin-2-one is Cc1cc2ccc(Nc3nc(N4CCC(CNCC(F)F)CC4)c4occc4n3)cc2[nH]c1=O.
What is the InChIKey of 7-[[4-[4-[(2,2-difluoroethylamino)methyl]piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-3-methyl-1H-quinolin-2-one?
The InChIKey is IXHIZXYZZFYBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N6O2/c1-14-10-16-2-3-17(11-19(16)29-23(14)33)28-24-30-18-6-9-34-21(18)22(31-24)32-7-4-15(5-8-32)12-27-13-20(25)26/h2-3,6,9-11,15,20,27H,4-5,7-8,12-13H2,1H3,(H,29,33)(H,28,30,31).
What are the key properties of 7-[[4-[4-[(2,2-difluoroethylamino)methyl]piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-3-methyl-1H-quinolin-2-one?
7-[[4-[4-[(2,2-difluoroethylamino)methyl]piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-3-methyl-1H-quinolin-2-one has a molecular weight of 468.51 g/mol, XLogP of 4.19, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[4-[(2,2-difluoroethylamino)methyl]piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-3-methyl-1H-quinolin-2-one is sourced from PubChem (CID 87560611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).