1-[2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-7-yl]amino]quinolin-6-yl]-3-propan-2-ylurea

C22H24N4O2 — CID 124637411

IUPAC1-[2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-7-yl]amino]quinolin-6-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc2nc(Nc3cccc4c3O[C@H](C)C4)ccc2c1
InChIInChI=1S/C22H24N4O2/c1-13(2)23-22(27)24-17-8-9-18-15(12-17)7-10-20(25-18)26-19-6-4-5-16-11-14(3)28-21(16)19/h4-10,12-14H,11H2,1-3H3,(H,25,26)(H2,23,24,27)/t14-/m1/s1
InChIKeyYOHAKOMQCABJKP-CQSZACIVSA-N
MW376.46 g/mol
LogP4.83
Rot. Bonds4

About 1-[2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-7-yl]amino]quinolin-6-yl]-3-propan-2-ylurea

1-[2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-7-yl]amino]quinolin-6-yl]-3-propan-2-ylurea (PubChem CID 124637411) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-7-yl]amino]quinolin-6-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-7-yl]amino]quinolin-6-yl]-3-propan-2-ylurea
PubChem CID124637411
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-[2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-7-yl]amino]quinolin-6-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc2nc(Nc3cccc4c3O[C@H](C)C4)ccc2c1
InChIInChI=1S/C22H24N4O2/c1-13(2)23-22(27)24-17-8-9-18-15(12-17)7-10-20(25-18)26-19-6-4-5-16-11-14(3)28-21(16)19/h4-10,12-14H,11H2,1-3H3,(H,25,26)(H2,23,24,27)/t14-/m1/s1
InChIKeyYOHAKOMQCABJKP-CQSZACIVSA-N
XLogP4.83
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-7-yl]amino]quinolin-6-yl]-3-propan-2-ylurea with MolForge

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Related Compounds

1-[2-[(7-fluoro-2,3-dihydro-1H-inden-1-yl)amino]quinolin-6-yl]-3-propan-2-ylurea
CID 68633602
molecular hydrogen;1-propan-2-yl-3-(2-propan-2-ylquinolin-6-yl)urea
CID 166479432
1-acridin-3-yl-3-propan-2-ylthiourea
CID 126195669
1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-phenylurea
CID 74953904
1-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]quinolin-6-yl]-3-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)urea
CID 68631139
1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-(3-methoxyphenyl)urea
CID 74953845
1-(2-methyl-1,3-benzothiazol-6-yl)-3-propan-2-ylurea
CID 3566433
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-propan-2-ylurea
CID 49283001
1-[6-(2-tert-butylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113018099
1-[4-(2,6-dimethylanilino)phenyl]-3-propan-2-ylurea
CID 112986426
1-[6-(4-bromo-2-methylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113021512
1-[6-(2-ethoxyanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113019637

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-7-yl]amino]quinolin-6-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-7-yl]amino]quinolin-6-yl]-3-propan-2-ylurea (CID 124637411) is 1-[2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-7-yl]amino]quinolin-6-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-7-yl]amino]quinolin-6-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-7-yl]amino]quinolin-6-yl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc2nc(Nc3cccc4c3O[C@H](C)C4)ccc2c1.
What is the InChIKey of 1-[2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-7-yl]amino]quinolin-6-yl]-3-propan-2-ylurea?
The InChIKey is YOHAKOMQCABJKP-CQSZACIVSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-13(2)23-22(27)24-17-8-9-18-15(12-17)7-10-20(25-18)26-19-6-4-5-16-11-14(3)28-21(16)19/h4-10,12-14H,11H2,1-3H3,(H,25,26)(H2,23,24,27)/t14-/m1/s1.
What are the key properties of 1-[2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-7-yl]amino]quinolin-6-yl]-3-propan-2-ylurea?
1-[2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-7-yl]amino]quinolin-6-yl]-3-propan-2-ylurea has a molecular weight of 376.46 g/mol, XLogP of 4.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-7-yl]amino]quinolin-6-yl]-3-propan-2-ylurea is sourced from PubChem (CID 124637411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).