N-cyclopropyl-N-[[5-[4-(cyclopropylamino)quinazolin-6-yl]furan-2-yl]methyl]acetamide

C21H22N4O2 — CID 68945902

IUPACN-cyclopropyl-N-[[5-[4-(cyclopropylamino)quinazolin-6-yl]furan-2-yl]methyl]acetamide
SMILESCC(=O)N(Cc1ccc(-c2ccc3ncnc(NC4CC4)c3c2)o1)C1CC1
InChIInChI=1S/C21H22N4O2/c1-13(26)25(16-5-6-16)11-17-7-9-20(27-17)14-2-8-19-18(10-14)21(23-12-22-19)24-15-3-4-15/h2,7-10,12,15-16H,3-6,11H2,1H3,(H,22,23,24)
InChIKeyUTZBDFQPLRNXNX-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.97
Rot. Bonds6

About N-cyclopropyl-N-[[5-[4-(cyclopropylamino)quinazolin-6-yl]furan-2-yl]methyl]acetamide

N-cyclopropyl-N-[[5-[4-(cyclopropylamino)quinazolin-6-yl]furan-2-yl]methyl]acetamide (PubChem CID 68945902) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-cyclopropyl-N-[[5-[4-(cyclopropylamino)quinazolin-6-yl]furan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[5-[4-(cyclopropylamino)quinazolin-6-yl]furan-2-yl]methyl]acetamide
PubChem CID68945902
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-cyclopropyl-N-[[5-[4-(cyclopropylamino)quinazolin-6-yl]furan-2-yl]methyl]acetamide
SMILESCC(=O)N(Cc1ccc(-c2ccc3ncnc(NC4CC4)c3c2)o1)C1CC1
InChIInChI=1S/C21H22N4O2/c1-13(26)25(16-5-6-16)11-17-7-9-20(27-17)14-2-8-19-18(10-14)21(23-12-22-19)24-15-3-4-15/h2,7-10,12,15-16H,3-6,11H2,1H3,(H,22,23,24)
InChIKeyUTZBDFQPLRNXNX-UHFFFAOYSA-N
XLogP3.97
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[5-[4-(cyclopropylamino)quinazolin-6-yl]furan-2-yl]methyl]acetamide?
The IUPAC name of N-cyclopropyl-N-[[5-[4-(cyclopropylamino)quinazolin-6-yl]furan-2-yl]methyl]acetamide (CID 68945902) is N-cyclopropyl-N-[[5-[4-(cyclopropylamino)quinazolin-6-yl]furan-2-yl]methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[[5-[4-(cyclopropylamino)quinazolin-6-yl]furan-2-yl]methyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[[5-[4-(cyclopropylamino)quinazolin-6-yl]furan-2-yl]methyl]acetamide is CC(=O)N(Cc1ccc(-c2ccc3ncnc(NC4CC4)c3c2)o1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[5-[4-(cyclopropylamino)quinazolin-6-yl]furan-2-yl]methyl]acetamide?
The InChIKey is UTZBDFQPLRNXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-13(26)25(16-5-6-16)11-17-7-9-20(27-17)14-2-8-19-18(10-14)21(23-12-22-19)24-15-3-4-15/h2,7-10,12,15-16H,3-6,11H2,1H3,(H,22,23,24).
What are the key properties of N-cyclopropyl-N-[[5-[4-(cyclopropylamino)quinazolin-6-yl]furan-2-yl]methyl]acetamide?
N-cyclopropyl-N-[[5-[4-(cyclopropylamino)quinazolin-6-yl]furan-2-yl]methyl]acetamide has a molecular weight of 362.43 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[5-[4-(cyclopropylamino)quinazolin-6-yl]furan-2-yl]methyl]acetamide is sourced from PubChem (CID 68945902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).