4-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]-N,N-dimethylbenzamide

C23H22N4O2 — CID 3233731

IUPAC4-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2nc(N(C)Cc3ccco3)c3ccccc3n2)cc1
InChIInChI=1S/C23H22N4O2/c1-26(2)23(28)17-12-10-16(11-13-17)21-24-20-9-5-4-8-19(20)22(25-21)27(3)15-18-7-6-14-29-18/h4-14H,15H2,1-3H3
InChIKeyQBUHGPFYONQHDX-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.23
Rot. Bonds5

About 4-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]-N,N-dimethylbenzamide

4-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]-N,N-dimethylbenzamide (PubChem CID 3233731) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]-N,N-dimethylbenzamide
PubChem CID3233731
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name4-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2nc(N(C)Cc3ccco3)c3ccccc3n2)cc1
InChIInChI=1S/C23H22N4O2/c1-26(2)23(28)17-12-10-16(11-13-17)21-24-20-9-5-4-8-19(20)22(25-21)27(3)15-18-7-6-14-29-18/h4-14H,15H2,1-3H3
InChIKeyQBUHGPFYONQHDX-UHFFFAOYSA-N
XLogP4.23
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(Furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]-2-methylbut-3-en-2-ol
CID 57339806
Nifurquinazol
CID 21139
N2-(4-Fluorophenyl)-N4-(furan-2-ylmethyl)quinazoline-2,4-diamine hydrochloride
CID 2908985
Antimalarial agent 13
CID 1285085
CID 2910633
CID 2910633
N-[(Furan-2-Yl)methyl]-2-Phenylquinazolin-4-Amine
CID 719250
Piperazine, 1-(4-amino-6-bromo-2-quinazolinyl)-4-(2-furanylcarbonyl)-, monohydrochloride
CID 3066781
2-chloro-N-(furan-2-ylmethyl)quinazolin-4-amine
CID 1599048
2-[(2-cyclohexylquinazolin-4-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 1465905
N~4~-(2-furylmethyl)-N~2~-(2-methylphenyl)-2,4-quinazolinediamine hydrochloride
CID 2908311
CID 2952918
CID 2952918
N2-(4-Chlorophenyl)-N4-(furan-2-ylmethyl)quinazoline-2,4-diamine hydrochloride
CID 2910602

Frequently Asked Questions

What is the IUPAC name of 4-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]-N,N-dimethylbenzamide (CID 3233731) is 4-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2nc(N(C)Cc3ccco3)c3ccccc3n2)cc1.
What is the InChIKey of 4-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]-N,N-dimethylbenzamide?
The InChIKey is QBUHGPFYONQHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-26(2)23(28)17-12-10-16(11-13-17)21-24-20-9-5-4-8-19(20)22(25-21)27(3)15-18-7-6-14-29-18/h4-14H,15H2,1-3H3.
What are the key properties of 4-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]-N,N-dimethylbenzamide?
4-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]-N,N-dimethylbenzamide has a molecular weight of 386.46 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 3233731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).