1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)urea

C23H28N4O3 — CID 71611347

IUPAC1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)urea
SMILESCN1C(=O)NCc2c(NC(=O)N[C@@H]3CCOc4c3cccc4C(C)(C)C)cccc21
InChIInChI=1S/C23H28N4O3/c1-23(2,3)16-8-5-7-14-18(11-12-30-20(14)16)26-21(28)25-17-9-6-10-19-15(17)13-24-22(29)27(19)4/h5-10,18H,11-13H2,1-4H3,(H,24,29)(H2,25,26,28)/t18-/m1/s1
InChIKeyIUZYDCRYBYLHPM-GOSISDBHSA-N
MW408.50 g/mol
LogP4.29
Rot. Bonds2

About 1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)urea

1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)urea (PubChem CID 71611347) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)urea.

Molecular Properties

Compound Name1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)urea
PubChem CID71611347
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)urea
SMILESCN1C(=O)NCc2c(NC(=O)N[C@@H]3CCOc4c3cccc4C(C)(C)C)cccc21
InChIInChI=1S/C23H28N4O3/c1-23(2,3)16-8-5-7-14-18(11-12-30-20(14)16)26-21(28)25-17-9-6-10-19-15(17)13-24-22(29)27(19)4/h5-10,18H,11-13H2,1-4H3,(H,24,29)(H2,25,26,28)/t18-/m1/s1
InChIKeyIUZYDCRYBYLHPM-GOSISDBHSA-N
XLogP4.29
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)urea?
The IUPAC name of 1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)urea (CID 71611347) is 1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)urea.
What is the SMILES notation for 1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)urea?
The canonical SMILES for 1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)urea is CN1C(=O)NCc2c(NC(=O)N[C@@H]3CCOc4c3cccc4C(C)(C)C)cccc21.
What is the InChIKey of 1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)urea?
The InChIKey is IUZYDCRYBYLHPM-GOSISDBHSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-23(2,3)16-8-5-7-14-18(11-12-30-20(14)16)26-21(28)25-17-9-6-10-19-15(17)13-24-22(29)27(19)4/h5-10,18H,11-13H2,1-4H3,(H,24,29)(H2,25,26,28)/t18-/m1/s1.
What are the key properties of 1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)urea?
1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)urea has a molecular weight of 408.50 g/mol, XLogP of 4.29, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-8-tert-butyl-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)urea is sourced from PubChem (CID 71611347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).