5-(furan-2-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one

C23H21NO2 — CID 3107510

IUPAC5-(furan-2-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
SMILESCC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)NC2c1ccco1
InChIInChI=1S/C23H21NO2/c1-23(2)12-16-20-15-7-4-3-6-14(15)9-10-17(20)24-22(19-8-5-11-26-19)21(16)18(25)13-23/h3-11,22,24H,12-13H2,1-2H3
InChIKeyHAMXCUKRWMKKRS-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.74
Rot. Bonds1

About 5-(furan-2-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one

5-(furan-2-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one (PubChem CID 3107510) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-(furan-2-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one.

Molecular Properties

Compound Name5-(furan-2-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
PubChem CID3107510
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name5-(furan-2-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
SMILESCC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)NC2c1ccco1
InChIInChI=1S/C23H21NO2/c1-23(2)12-16-20-15-7-4-3-6-14(15)9-10-17(20)24-22(19-8-5-11-26-19)21(16)18(25)13-23/h3-11,22,24H,12-13H2,1-2H3
InChIKeyHAMXCUKRWMKKRS-UHFFFAOYSA-N
XLogP5.74
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-furylmethyl)cyclohexanecarboxamide
CID 645163
5-(furan-2-yl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one
CID 2899875
2,2-Dimethyl-5-(5-methyl-furan-2-yl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one
CID 3107511
Cambridge id 5926106
CID 2876756
5-(5-bromo-2-furyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
CID 2925038
N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-furylmethyl)benzamide
CID 1453575
2-(Furan-2-yl)-2,3-dihydroquinolin-4(1h)-one
CID 10867616
N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(naphthalen-2-ylmethyl)amino]acetamide
CID 156786214
3-(4-(diethylamino)phenyl)-11-(furan-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
CID 3137928
2-[1-Benzofuran-2-yl-(naphthalen-1-ylamino)methyl]cyclohexan-1-one
CID 53321642
4-(dimethylamino)-N-(2-furylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 53323849
(2R)-2,5-diamino-N-[1-(furan-2-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]pentanamide
CID 57396599

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one?
The IUPAC name of 5-(furan-2-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one (CID 3107510) is 5-(furan-2-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one.
What is the SMILES notation for 5-(furan-2-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one?
The canonical SMILES for 5-(furan-2-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one is CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)NC2c1ccco1.
What is the InChIKey of 5-(furan-2-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one?
The InChIKey is HAMXCUKRWMKKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-23(2)12-16-20-15-7-4-3-6-14(15)9-10-17(20)24-22(19-8-5-11-26-19)21(16)18(25)13-23/h3-11,22,24H,12-13H2,1-2H3.
What are the key properties of 5-(furan-2-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one?
5-(furan-2-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one has a molecular weight of 343.43 g/mol, XLogP of 5.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one is sourced from PubChem (CID 3107510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).