3-(furan-2-yl)-1-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)propan-1-one

C19H20N4O2 — CID 110215073

IUPAC3-(furan-2-yl)-1-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)propan-1-one
SMILESCc1cc2ncc3c(n2n1)CC1CCC3N1C(=O)CCc1ccco1
InChIInChI=1S/C19H20N4O2/c1-12-9-18-20-11-15-16-6-4-13(10-17(15)23(18)21-12)22(16)19(24)7-5-14-3-2-8-25-14/h2-3,8-9,11,13,16H,4-7,10H2,1H3
InChIKeyWMVWRVMHFLJCDS-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.85
Rot. Bonds3

About 3-(furan-2-yl)-1-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)propan-1-one

3-(furan-2-yl)-1-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)propan-1-one (PubChem CID 110215073) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)propan-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)propan-1-one
PubChem CID110215073
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name3-(furan-2-yl)-1-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)propan-1-one
SMILESCc1cc2ncc3c(n2n1)CC1CCC3N1C(=O)CCc1ccco1
InChIInChI=1S/C19H20N4O2/c1-12-9-18-20-11-15-16-6-4-13(10-17(15)23(18)21-12)22(16)19(24)7-5-14-3-2-8-25-14/h2-3,8-9,11,13,16H,4-7,10H2,1H3
InChIKeyWMVWRVMHFLJCDS-UHFFFAOYSA-N
XLogP2.85
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(furan-2-yl)-1-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)propan-1-one with MolForge

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Related Compounds

1-[(1R,12R)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-2-pyridin-3-ylethanone
CID 98062382
2-(1,3-benzodioxol-5-yl)-1-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)ethanone
CID 110215064
N-[4-[(1S,12S)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-4-oxobutyl]thiophene-2-sulfonamide
CID 98062842
[(1S,12S)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-pyridin-4-ylmethanone
CID 98062373
4-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 46960822
(2-methyl-3-pyridinyl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone
CID 110215069
(1R,12R)-7-methyl-15-[(5-methylfuran-2-yl)methyl]-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene
CID 98062283
(2-ethoxy-3-pyridinyl)-[(1S,12R)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]methanone
CID 51595613
4-methoxy-N-[2-[(1S,12S)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-2-oxoethyl]benzenesulfonamide
CID 98131841
(4-chloro-1-methylpyrazol-3-yl)-[(1R,12R)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]methanone
CID 98062879
15-benzyl-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene
CID 46960262
(2R)-2-(3-methoxyphenoxy)-1-[(1R,12R)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]butan-1-one
CID 98062847

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)propan-1-one?
The IUPAC name of 3-(furan-2-yl)-1-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)propan-1-one (CID 110215073) is 3-(furan-2-yl)-1-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)propan-1-one.
What is the SMILES notation for 3-(furan-2-yl)-1-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)propan-1-one?
The canonical SMILES for 3-(furan-2-yl)-1-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)propan-1-one is Cc1cc2ncc3c(n2n1)CC1CCC3N1C(=O)CCc1ccco1.
What is the InChIKey of 3-(furan-2-yl)-1-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)propan-1-one?
The InChIKey is WMVWRVMHFLJCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-9-18-20-11-15-16-6-4-13(10-17(15)23(18)21-12)22(16)19(24)7-5-14-3-2-8-25-14/h2-3,8-9,11,13,16H,4-7,10H2,1H3.
What are the key properties of 3-(furan-2-yl)-1-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)propan-1-one?
3-(furan-2-yl)-1-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)propan-1-one has a molecular weight of 336.39 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)propan-1-one is sourced from PubChem (CID 110215073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).