N-(2-chloroquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride

C14H20Cl2N4 — CID 21412321

IUPACN-(2-chloroquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride
SMILESCCN(CC)CCNc1nc(Cl)nc2ccccc12.Cl
InChIInChI=1S/C14H19ClN4.ClH/c1-3-19(4-2)10-9-16-13-11-7-5-6-8-12(11)17-14(15)18-13;/h5-8H,3-4,9-10H2,1-2H3,(H,16,17,18);1H
InChIKeyUAAJARFDELYTHW-UHFFFAOYSA-N
MW315.25 g/mol
LogP3.46
Rot. Bonds6

About N-(2-chloroquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride

N-(2-chloroquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride (PubChem CID 21412321) has the molecular formula C14H20Cl2N4 and a molecular weight of 315.25 g/mol. Its IUPAC name is N-(2-chloroquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN-(2-chloroquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride
PubChem CID21412321
Molecular FormulaC14H20Cl2N4
Molecular Weight315.25 g/mol
Exact Mass314.11
IUPAC NameN-(2-chloroquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride
SMILESCCN(CC)CCNc1nc(Cl)nc2ccccc12.Cl
InChIInChI=1S/C14H19ClN4.ClH/c1-3-19(4-2)10-9-16-13-11-7-5-6-8-12(11)17-14(15)18-13;/h5-8H,3-4,9-10H2,1-2H3,(H,16,17,18);1H
InChIKeyUAAJARFDELYTHW-UHFFFAOYSA-N
XLogP3.46
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]quinazoline-2,4-diamine
CID 12703241
4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid
CID 62407799
2-chloro-N-(3-methoxypropyl)quinazolin-4-amine
CID 22692600
5-[(2-chloroquinazolin-4-yl)amino]pentan-2-ol
CID 114148530
N',N'-diethyl-N-(2-hydrazinylquinazolin-4-yl)propane-1,3-diamine
CID 80938208
2-chloro-N-(2-phenylsulfanylethyl)quinazolin-4-amine
CID 12827448
3-[(2-chloroquinazolin-4-yl)amino]-N-propylpropanamide
CID 62477007
ethyl 3-[(2-chloroquinazolin-4-yl)amino]propanoate
CID 62477868
3-N-[2-(diethylamino)ethyl]quinoxaline-2,3-diamine
CID 102983578
N'-(2-chloroquinazolin-4-yl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 121377379
(2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol
CID 42149810
N-[2-(2-bromophenyl)ethyl]-2-chloroquinazolin-4-amine
CID 142747337

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride?
The IUPAC name of N-(2-chloroquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride (CID 21412321) is N-(2-chloroquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N-(2-chloroquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride?
The canonical SMILES for N-(2-chloroquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride is CCN(CC)CCNc1nc(Cl)nc2ccccc12.Cl.
What is the InChIKey of N-(2-chloroquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride?
The InChIKey is UAAJARFDELYTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4.ClH/c1-3-19(4-2)10-9-16-13-11-7-5-6-8-12(11)17-14(15)18-13;/h5-8H,3-4,9-10H2,1-2H3,(H,16,17,18);1H.
What are the key properties of N-(2-chloroquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride?
N-(2-chloroquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride has a molecular weight of 315.25 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 21412321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).