N'-[2-(2-aminoethyl)quinazolin-4-yl]-N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine;dihydrochloride

C20H29Cl2N5O — CID 154887337

IUPACN'-[2-(2-aminoethyl)quinazolin-4-yl]-N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine;dihydrochloride
SMILESCCN(CC)C(CNc1nc(CCN)nc2ccccc12)c1ccco1.Cl.Cl
InChIInChI=1S/C20H27N5O.2ClH/c1-3-25(4-2)17(18-10-7-13-26-18)14-22-20-15-8-5-6-9-16(15)23-19(24-20)11-12-21;;/h5-10,13,17H,3-4,11-12,14,21H2,1-2H3,(H,22,23,24);2*1H
InChIKeyORFSTJPIQRIOSL-UHFFFAOYSA-N
MW426.39 g/mol
LogP4.06
Rot. Bonds9

About N'-[2-(2-aminoethyl)quinazolin-4-yl]-N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine;dihydrochloride

N'-[2-(2-aminoethyl)quinazolin-4-yl]-N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine;dihydrochloride (PubChem CID 154887337) has the molecular formula C20H29Cl2N5O and a molecular weight of 426.39 g/mol. Its IUPAC name is N'-[2-(2-aminoethyl)quinazolin-4-yl]-N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-[2-(2-aminoethyl)quinazolin-4-yl]-N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine;dihydrochloride
PubChem CID154887337
Molecular FormulaC20H29Cl2N5O
Molecular Weight426.39 g/mol
Exact Mass425.17
IUPAC NameN'-[2-(2-aminoethyl)quinazolin-4-yl]-N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine;dihydrochloride
SMILESCCN(CC)C(CNc1nc(CCN)nc2ccccc12)c1ccco1.Cl.Cl
InChIInChI=1S/C20H27N5O.2ClH/c1-3-25(4-2)17(18-10-7-13-26-18)14-22-20-15-8-5-6-9-16(15)23-19(24-20)11-12-21;;/h5-10,13,17H,3-4,11-12,14,21H2,1-2H3,(H,22,23,24);2*1H
InChIKeyORFSTJPIQRIOSL-UHFFFAOYSA-N
XLogP4.06
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N'-[2-(2-aminoethyl)quinazolin-4-yl]-N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine;dihydrochloride with MolForge

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Related Compounds

2-N,4-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]quinazoline-2,4-diamine
CID 56584916
1-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-3-(2,4-dimethylphenoxy)propan-2-ol
CID 50959469
4-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine
CID 56892633
2-(2-aminoethyl)-N-[(5-ethyl-2-pyridinyl)methyl]quinazolin-4-amine
CID 50981823
2-(2-aminoethyl)-N-[2-(2-chlorophenyl)ethyl]quinazolin-4-amine
CID 50967665
2-(2-aminoethyl)-N-[1-(4-methyl-2-pyridinyl)propyl]quinazolin-4-amine
CID 50958621
2-[4-[[(2S)-2-hydroxypropyl]amino]quinazolin-2-yl]ethyl-dimethylazanium
CID 6984824
2-(2-aminoethyl)-N-[3-(2-ethylimidazol-1-yl)propyl]quinazolin-4-amine
CID 50976321
2-(2-aminoethyl)-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]quinazolin-4-amine
CID 95120809
N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]propane-1,3-diamine
CID 143396865
2-(2-aminoethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]quinazolin-4-amine
CID 50964550
2-[2-(dimethylamino)ethyl]-N-methylquinazolin-4-amine
CID 1414265

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-aminoethyl)quinazolin-4-yl]-N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N'-[2-(2-aminoethyl)quinazolin-4-yl]-N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine;dihydrochloride (CID 154887337) is N'-[2-(2-aminoethyl)quinazolin-4-yl]-N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N'-[2-(2-aminoethyl)quinazolin-4-yl]-N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N'-[2-(2-aminoethyl)quinazolin-4-yl]-N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine;dihydrochloride is CCN(CC)C(CNc1nc(CCN)nc2ccccc12)c1ccco1.Cl.Cl.
What is the InChIKey of N'-[2-(2-aminoethyl)quinazolin-4-yl]-N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine;dihydrochloride?
The InChIKey is ORFSTJPIQRIOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O.2ClH/c1-3-25(4-2)17(18-10-7-13-26-18)14-22-20-15-8-5-6-9-16(15)23-19(24-20)11-12-21;;/h5-10,13,17H,3-4,11-12,14,21H2,1-2H3,(H,22,23,24);2*1H.
What are the key properties of N'-[2-(2-aminoethyl)quinazolin-4-yl]-N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine;dihydrochloride?
N'-[2-(2-aminoethyl)quinazolin-4-yl]-N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine;dihydrochloride has a molecular weight of 426.39 g/mol, XLogP of 4.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-aminoethyl)quinazolin-4-yl]-N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 154887337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).