4-[12-[3-(furan-2-yl)prop-2-enyl]-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-yl]morpholine

C20H24N4O2 — CID 171147676

IUPAC4-[12-[3-(furan-2-yl)prop-2-enyl]-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-yl]morpholine
SMILESC(=Cc1ccco1)CN1C2CCC1c1cnc(N3CCOCC3)nc1C2
InChIInChI=1S/C20H24N4O2/c1(3-16-4-2-10-26-16)7-24-15-5-6-19(24)17-14-21-20(22-18(17)13-15)23-8-11-25-12-9-23/h1-4,10,14-15,19H,5-9,11-13H2
InChIKeyAHJMWZFQTPYHKP-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.68
Rot. Bonds4

About 4-[12-[3-(furan-2-yl)prop-2-enyl]-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-yl]morpholine

4-[12-[3-(furan-2-yl)prop-2-enyl]-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-yl]morpholine (PubChem CID 171147676) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-[12-[3-(furan-2-yl)prop-2-enyl]-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-yl]morpholine.

Molecular Properties

Compound Name4-[12-[3-(furan-2-yl)prop-2-enyl]-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-yl]morpholine
PubChem CID171147676
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name4-[12-[3-(furan-2-yl)prop-2-enyl]-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-yl]morpholine
SMILESC(=Cc1ccco1)CN1C2CCC1c1cnc(N3CCOCC3)nc1C2
InChIInChI=1S/C20H24N4O2/c1(3-16-4-2-10-26-16)7-24-15-5-6-19(24)17-14-21-20(22-18(17)13-15)23-8-11-25-12-9-23/h1-4,10,14-15,19H,5-9,11-13H2
InChIKeyAHJMWZFQTPYHKP-UHFFFAOYSA-N
XLogP2.68
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[12-[3-(furan-2-yl)prop-2-enyl]-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-yl]morpholine with MolForge

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Related Compounds

5-Furan-2-yl-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381652
N-(furan-2-ylmethyl)-N-methyl-6-pyridin-3-ylpyrimidin-4-amine
CID 3234858
[(1R,9S)-5-(4-fluorophenyl)-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl]-(furan-2-yl)methanone
CID 110196779
6-(furan-2-ylmethyl)-2-(morpholin-4-yl)pyrido[4,3-d]pyrimidin-5(6H)-one
CID 17198698
6-(furan-2-ylmethyl)-2-(piperidin-1-yl)pyrido[4,3-d]pyrimidin-5(6H)-one
CID 44247456
(4aS,8R,8aS)-6-(furan-2-ylmethyl)-N-methyl-N-(pyrimidin-5-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
CID 97364611
7-(furan-2-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97389657
1-(furan-2-yl)-N-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]methanamine
CID 97463919
1-(furan-2-yl)-N-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine
CID 97463920
7-[(5-Methylfuran-2-yl)methyl]-4-pyridin-4-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 97516195
7-[(5-Methylfuran-2-yl)methyl]-4-pyridin-3-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 97516276
4-[7-[(5-Ethylfuran-2-yl)methyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl]morpholine
CID 97516664

Frequently Asked Questions

What is the IUPAC name of 4-[12-[3-(furan-2-yl)prop-2-enyl]-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-yl]morpholine?
The IUPAC name of 4-[12-[3-(furan-2-yl)prop-2-enyl]-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-yl]morpholine (CID 171147676) is 4-[12-[3-(furan-2-yl)prop-2-enyl]-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-yl]morpholine.
What is the SMILES notation for 4-[12-[3-(furan-2-yl)prop-2-enyl]-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-yl]morpholine?
The canonical SMILES for 4-[12-[3-(furan-2-yl)prop-2-enyl]-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-yl]morpholine is C(=Cc1ccco1)CN1C2CCC1c1cnc(N3CCOCC3)nc1C2.
What is the InChIKey of 4-[12-[3-(furan-2-yl)prop-2-enyl]-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-yl]morpholine?
The InChIKey is AHJMWZFQTPYHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1(3-16-4-2-10-26-16)7-24-15-5-6-19(24)17-14-21-20(22-18(17)13-15)23-8-11-25-12-9-23/h1-4,10,14-15,19H,5-9,11-13H2.
What are the key properties of 4-[12-[3-(furan-2-yl)prop-2-enyl]-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-yl]morpholine?
4-[12-[3-(furan-2-yl)prop-2-enyl]-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-yl]morpholine has a molecular weight of 352.44 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[12-[3-(furan-2-yl)prop-2-enyl]-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-yl]morpholine is sourced from PubChem (CID 171147676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).