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

C22H24N6O2 — CID 67129984

IUPAC7-[[4-[4-(aminomethyl)piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2cc(Nc3nc(N4CCC(CN)CC4)c4occc4n3)ccc12
InChIInChI=1S/C22H24N6O2/c1-13-10-19(29)25-18-11-15(2-3-16(13)18)24-22-26-17-6-9-30-20(17)21(27-22)28-7-4-14(12-23)5-8-28/h2-3,6,9-11,14H,4-5,7-8,12,23H2,1H3,(H,25,29)(H,24,26,27)
InChIKeyNRCHCSHVUOVWRX-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.29
Rot. Bonds4

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

7-[[4-[4-(aminomethyl)piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one (PubChem CID 67129984) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 7-[[4-[4-(aminomethyl)piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[[4-[4-(aminomethyl)piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one
PubChem CID67129984
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name7-[[4-[4-(aminomethyl)piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2cc(Nc3nc(N4CCC(CN)CC4)c4occc4n3)ccc12
InChIInChI=1S/C22H24N6O2/c1-13-10-19(29)25-18-11-15(2-3-16(13)18)24-22-26-17-6-9-30-20(17)21(27-22)28-7-4-14(12-23)5-8-28/h2-3,6,9-11,14H,4-5,7-8,12,23H2,1H3,(H,25,29)(H,24,26,27)
InChIKeyNRCHCSHVUOVWRX-UHFFFAOYSA-N
XLogP3.29
TPSA113.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

CID 2910633
CID 2910633
N~4~-Cyclopropyl-N~2~-(3-Methyl-1h-Indazol-6-Yl)furo[3,2-D]pyrimidine-2,4-Diamine
CID 67130050
4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
CID 156599521
2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 1414940
2-Methyl-4-morpholino[1]benzofuro[3,2-d]pyrimidine
CID 656347
N~4~-(2-furylmethyl)-N~2~-(2-methylphenyl)-2,4-quinazolinediamine hydrochloride
CID 2908311
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
N-(2-methoxyethyl)-2-phenylbenzofuro[3,2-d]pyrimidin-4-amine hydrochloride
CID 16682474
2-methyl-N-(3-morpholinopropyl)benzofuro[3,2-d]pyrimidin-4-amine hydrochloride
CID 6602794
Ethyl 1-(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate hydrochloride
CID 6602796
2-ethyl-N-(furan-2-ylmethyl)benzofuro[3,2-d]pyrimidin-4-amine hydrochloride
CID 6602802

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[4-(aminomethyl)piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one?
The IUPAC name of 7-[[4-[4-(aminomethyl)piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one (CID 67129984) is 7-[[4-[4-(aminomethyl)piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one.
What is the SMILES notation for 7-[[4-[4-(aminomethyl)piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one?
The canonical SMILES for 7-[[4-[4-(aminomethyl)piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one is Cc1cc(=O)[nH]c2cc(Nc3nc(N4CCC(CN)CC4)c4occc4n3)ccc12.
What is the InChIKey of 7-[[4-[4-(aminomethyl)piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one?
The InChIKey is NRCHCSHVUOVWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-13-10-19(29)25-18-11-15(2-3-16(13)18)24-22-26-17-6-9-30-20(17)21(27-22)28-7-4-14(12-23)5-8-28/h2-3,6,9-11,14H,4-5,7-8,12,23H2,1H3,(H,25,29)(H,24,26,27).
What are the key properties of 7-[[4-[4-(aminomethyl)piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one?
7-[[4-[4-(aminomethyl)piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one has a molecular weight of 404.47 g/mol, XLogP of 3.29, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[4-(aminomethyl)piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one is sourced from PubChem (CID 67129984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).