N-(furan-2-ylmethyl)-1,4-dihydroquinazolin-2-amine;hydrochloride

C13H14ClN3O — CID 118730520

IUPACN-(furan-2-ylmethyl)-1,4-dihydroquinazolin-2-amine;hydrochloride
SMILESCl.c1coc(CNC2=NCc3ccccc3N2)c1
InChIInChI=1S/C13H13N3O.ClH/c1-2-6-12-10(4-1)8-14-13(16-12)15-9-11-5-3-7-17-11;/h1-7H,8-9H2,(H2,14,15,16);1H
InChIKeyWRPHNWNJFHFMIU-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.77
Rot. Bonds2

About N-(furan-2-ylmethyl)-1,4-dihydroquinazolin-2-amine;hydrochloride

N-(furan-2-ylmethyl)-1,4-dihydroquinazolin-2-amine;hydrochloride (PubChem CID 118730520) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1,4-dihydroquinazolin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1,4-dihydroquinazolin-2-amine;hydrochloride
PubChem CID118730520
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC NameN-(furan-2-ylmethyl)-1,4-dihydroquinazolin-2-amine;hydrochloride
SMILESCl.c1coc(CNC2=NCc3ccccc3N2)c1
InChIInChI=1S/C13H13N3O.ClH/c1-2-6-12-10(4-1)8-14-13(16-12)15-9-11-5-3-7-17-11;/h1-7H,8-9H2,(H2,14,15,16);1H
InChIKeyWRPHNWNJFHFMIU-UHFFFAOYSA-N
XLogP2.77
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Furan-2-ylmethyl)-3-(2-methylphenyl)thiourea
CID 694026
1-Furfuryl-3-phenyl-2-thiourea
CID 689750
5-(2-Furylmethyl)-1-(4-methylphenyl)-1,3,5-triazinane-2-thione
CID 3546592
1-(4-Acetylphenyl)-3-(furan-2-ylmethyl)thiourea
CID 863535
2-Furan-2-yl-2,3-dihydro-1H-perimidine
CID 647027
N-(3-acetylphenyl)-N'-(2-furylmethyl)thiourea
CID 970276
4-({[(2-Furylmethyl)amino]carbonothioyl}amino)benzamide
CID 971328
1-(2,4-Dimethylphenyl)-3-(furan-2-ylmethyl)thiourea
CID 2826692
N-(2-furylmethyl)-N-(4-methylbenzyl)-N'-(2-methylphenyl)thiourea
CID 4153840
5,8-Difluoro-2-furan-2-yl-1,2-dihydro-quinazolin-4-ylamine
CID 11010340
3-(Furan-2-ylmethyl)quinazolin-4-one
CID 332456
2-Furan-2-yl-2,3-dihydro-1H-quinazolin-4-one
CID 656251

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1,4-dihydroquinazolin-2-amine;hydrochloride?
The IUPAC name of N-(furan-2-ylmethyl)-1,4-dihydroquinazolin-2-amine;hydrochloride (CID 118730520) is N-(furan-2-ylmethyl)-1,4-dihydroquinazolin-2-amine;hydrochloride.
What is the SMILES notation for N-(furan-2-ylmethyl)-1,4-dihydroquinazolin-2-amine;hydrochloride?
The canonical SMILES for N-(furan-2-ylmethyl)-1,4-dihydroquinazolin-2-amine;hydrochloride is Cl.c1coc(CNC2=NCc3ccccc3N2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-1,4-dihydroquinazolin-2-amine;hydrochloride?
The InChIKey is WRPHNWNJFHFMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O.ClH/c1-2-6-12-10(4-1)8-14-13(16-12)15-9-11-5-3-7-17-11;/h1-7H,8-9H2,(H2,14,15,16);1H.
What are the key properties of N-(furan-2-ylmethyl)-1,4-dihydroquinazolin-2-amine;hydrochloride?
N-(furan-2-ylmethyl)-1,4-dihydroquinazolin-2-amine;hydrochloride has a molecular weight of 263.73 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1,4-dihydroquinazolin-2-amine;hydrochloride is sourced from PubChem (CID 118730520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).