1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea

C27H27N7O3 — CID 68892328

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea
SMILESCc1noc(C)c1NC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3ccc4c(ccn4C)c3n2)cc1
InChIInChI=1S/C27H27N7O3/c1-16-23(17(2)37-32-16)30-27(35)28-19-6-4-18(5-7-19)25-29-24-20-10-11-33(3)22(20)9-8-21(24)26(31-25)34-12-14-36-15-13-34/h4-11H,12-15H2,1-3H3,(H2,28,30,35)
InChIKeyQGLZWPGVWQHRBJ-UHFFFAOYSA-N
MW497.56 g/mol
LogP4.87
Rot. Bonds4

About 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea

1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea (PubChem CID 68892328) has the molecular formula C27H27N7O3 and a molecular weight of 497.56 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea
PubChem CID68892328
Molecular FormulaC27H27N7O3
Molecular Weight497.56 g/mol
Exact Mass497.22
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea
SMILESCc1noc(C)c1NC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3ccc4c(ccn4C)c3n2)cc1
InChIInChI=1S/C27H27N7O3/c1-16-23(17(2)37-32-16)30-27(35)28-19-6-4-18(5-7-19)25-29-24-20-10-11-33(3)22(20)9-8-21(24)26(31-25)34-12-14-36-15-13-34/h4-11H,12-15H2,1-3H3,(H2,28,30,35)
InChIKeyQGLZWPGVWQHRBJ-UHFFFAOYSA-N
XLogP4.87
TPSA110.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea with MolForge

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Related Compounds

1-cyclohexyl-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea
CID 68895887
N-[4-[[4-[4-morpholin-4-yl-7-(1,3,5-trimethylpyrazol-4-yl)quinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67517625
N-[4-[[4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 57335185
N-[4-[[4-(4-morpholin-4-yl-7-pyridazin-4-ylquinazolin-2-yl)phenyl]carbamoylamino]phenyl]acetamide
CID 67515024
1-[4-[7-[2-(methylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenyl]-3-pyridin-4-ylurea
CID 44599028
4-[[4-[8-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
CID 57335029
1-[4-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenyl]-3-pyridin-4-ylurea
CID 44600955
1-tert-butyl-3-[4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]urea
CID 89181960
N-hydroxy-7-[6-[4-[(4-methylphenyl)carbamoylamino]phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]heptanamide
CID 155558136
5-(7-methylsulfonyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)-N-phenylpyrimidin-2-amine
CID 68965513
N-[4-[[4-[7-(2-methyl-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67514586
N-methyl-N-[4-[[4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67516168

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea (CID 68892328) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea is Cc1noc(C)c1NC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3ccc4c(ccn4C)c3n2)cc1.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea?
The InChIKey is QGLZWPGVWQHRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O3/c1-16-23(17(2)37-32-16)30-27(35)28-19-6-4-18(5-7-19)25-29-24-20-10-11-33(3)22(20)9-8-21(24)26(31-25)34-12-14-36-15-13-34/h4-11H,12-15H2,1-3H3,(H2,28,30,35).
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea?
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea has a molecular weight of 497.56 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea is sourced from PubChem (CID 68892328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).