N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-2,5-dimethylfuran-3-carboxamide

C21H28N4O3 — CID 25461451

IUPACN-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)c(C)o1
InChIInChI=1S/C21H28N4O3/c1-13-9-15(14(2)28-13)19(26)23-17-10-21(3,4)11-18-16(17)12-22-20(24-18)25-5-7-27-8-6-25/h9,12,17H,5-8,10-11H2,1-4H3,(H,23,26)/t17-/m0/s1
InChIKeyPZJCZUGCEIHEBN-KRWDZBQOSA-N
MW384.48 g/mol
LogP2.97
Rot. Bonds3

About N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-2,5-dimethylfuran-3-carboxamide

N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 25461451) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-2,5-dimethylfuran-3-carboxamide
PubChem CID25461451
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)c(C)o1
InChIInChI=1S/C21H28N4O3/c1-13-9-15(14(2)28-13)19(26)23-17-10-21(3,4)11-18-16(17)12-22-20(24-18)25-5-7-27-8-6-25/h9,12,17H,5-8,10-11H2,1-4H3,(H,23,26)/t17-/m0/s1
InChIKeyPZJCZUGCEIHEBN-KRWDZBQOSA-N
XLogP2.97
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-2,5-dimethylfuran-3-carboxamide (CID 25461451) is N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)N[C@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)c(C)o1.
What is the InChIKey of N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is PZJCZUGCEIHEBN-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-13-9-15(14(2)28-13)19(26)23-17-10-21(3,4)11-18-16(17)12-22-20(24-18)25-5-7-27-8-6-25/h9,12,17H,5-8,10-11H2,1-4H3,(H,23,26)/t17-/m0/s1.
What are the key properties of N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-2,5-dimethylfuran-3-carboxamide?
N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 25461451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).