3-(2-ethylphenyl)-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-1-propan-2-ylurea

C29H30N4O3 — CID 42752505

IUPAC3-(2-ethylphenyl)-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-1-propan-2-ylurea
SMILESCCc1ccccc1NC(=O)N(CC(=O)N1c2ccccc2-n2cccc2C1c1ccco1)C(C)C
InChIInChI=1S/C29H30N4O3/c1-4-21-11-5-6-12-22(21)30-29(35)32(20(2)3)19-27(34)33-24-14-8-7-13-23(24)31-17-9-15-25(31)28(33)26-16-10-18-36-26/h5-18,20,28H,4,19H2,1-3H3,(H,30,35)
InChIKeyNGSSKWXNIJSVKT-UHFFFAOYSA-N
MW482.58 g/mol
LogP6.01
Rot. Bonds6

About 3-(2-ethylphenyl)-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-1-propan-2-ylurea

3-(2-ethylphenyl)-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-1-propan-2-ylurea (PubChem CID 42752505) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 3-(2-ethylphenyl)-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-1-propan-2-ylurea.

Molecular Properties

Compound Name3-(2-ethylphenyl)-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-1-propan-2-ylurea
PubChem CID42752505
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name3-(2-ethylphenyl)-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-1-propan-2-ylurea
SMILESCCc1ccccc1NC(=O)N(CC(=O)N1c2ccccc2-n2cccc2C1c1ccco1)C(C)C
InChIInChI=1S/C29H30N4O3/c1-4-21-11-5-6-12-22(21)30-29(35)32(20(2)3)19-27(34)33-24-14-8-7-13-23(24)31-17-9-15-25(31)28(33)26-16-10-18-36-26/h5-18,20,28H,4,19H2,1-3H3,(H,30,35)
InChIKeyNGSSKWXNIJSVKT-UHFFFAOYSA-N
XLogP6.01
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-propan-2-ylurea
CID 42752498
1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-propan-2-ylurea
CID 42752499
ethyl 4-[[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate
CID 42751905
1-cyclopropyl-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(2-methylphenyl)urea
CID 4988462
3-cyclopentyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 42659478
3-(2-fluorophenyl)-1-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]-1-propan-2-ylurea
CID 3948698
1-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]-1-propan-2-yl-3-[2-(trifluoromethyl)phenyl]urea
CID 46118485
3-(2-bromophenyl)-1-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-1-propan-2-ylurea
CID 5239432
1-cyclopropyl-3-ethyl-1-[2-[(4R)-4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea
CID 7356492
1-butyl-3-(2,4-dimethoxyphenyl)-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea
CID 42752517
1-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-naphthalen-1-yl-1-propan-2-ylurea
CID 3645377
3-benzyl-1-butyl-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea
CID 42752513

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenyl)-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-1-propan-2-ylurea?
The IUPAC name of 3-(2-ethylphenyl)-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-1-propan-2-ylurea (CID 42752505) is 3-(2-ethylphenyl)-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-1-propan-2-ylurea.
What is the SMILES notation for 3-(2-ethylphenyl)-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-1-propan-2-ylurea?
The canonical SMILES for 3-(2-ethylphenyl)-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-1-propan-2-ylurea is CCc1ccccc1NC(=O)N(CC(=O)N1c2ccccc2-n2cccc2C1c1ccco1)C(C)C.
What is the InChIKey of 3-(2-ethylphenyl)-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-1-propan-2-ylurea?
The InChIKey is NGSSKWXNIJSVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-4-21-11-5-6-12-22(21)30-29(35)32(20(2)3)19-27(34)33-24-14-8-7-13-23(24)31-17-9-15-25(31)28(33)26-16-10-18-36-26/h5-18,20,28H,4,19H2,1-3H3,(H,30,35).
What are the key properties of 3-(2-ethylphenyl)-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-1-propan-2-ylurea?
3-(2-ethylphenyl)-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-1-propan-2-ylurea has a molecular weight of 482.58 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenyl)-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-1-propan-2-ylurea is sourced from PubChem (CID 42752505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).