N'-(2-chloroquinazolin-4-yl)-N,N-dimethyl-1-phenylethane-1,2-diamine

C18H19ClN4 — CID 121377379

IUPACN'-(2-chloroquinazolin-4-yl)-N,N-dimethyl-1-phenylethane-1,2-diamine
SMILESCN(C)C(CNc1nc(Cl)nc2ccccc12)c1ccccc1
InChIInChI=1S/C18H19ClN4/c1-23(2)16(13-8-4-3-5-9-13)12-20-17-14-10-6-7-11-15(14)21-18(19)22-17/h3-11,16H,12H2,1-2H3,(H,20,21,22)
InChIKeyQYAPRCZGUADQPZ-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.00
Rot. Bonds5

About N'-(2-chloroquinazolin-4-yl)-N,N-dimethyl-1-phenylethane-1,2-diamine

N'-(2-chloroquinazolin-4-yl)-N,N-dimethyl-1-phenylethane-1,2-diamine (PubChem CID 121377379) has the molecular formula C18H19ClN4 and a molecular weight of 326.83 g/mol. Its IUPAC name is N'-(2-chloroquinazolin-4-yl)-N,N-dimethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-chloroquinazolin-4-yl)-N,N-dimethyl-1-phenylethane-1,2-diamine
PubChem CID121377379
Molecular FormulaC18H19ClN4
Molecular Weight326.83 g/mol
Exact Mass326.13
IUPAC NameN'-(2-chloroquinazolin-4-yl)-N,N-dimethyl-1-phenylethane-1,2-diamine
SMILESCN(C)C(CNc1nc(Cl)nc2ccccc12)c1ccccc1
InChIInChI=1S/C18H19ClN4/c1-23(2)16(13-8-4-3-5-9-13)12-20-17-14-10-6-7-11-15(14)21-18(19)22-17/h3-11,16H,12H2,1-2H3,(H,20,21,22)
InChIKeyQYAPRCZGUADQPZ-UHFFFAOYSA-N
XLogP4.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-(2-chloroquinazolin-4-yl)-N,N-dimethyl-1-phenylethane-1,2-diamine with MolForge

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Related Compounds

(2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol
CID 42149810
N-[2-[(2-chloroquinazolin-4-yl)amino]-1-phenylethyl]acetamide
CID 121377431
2-chloro-N-(2-methylsulfinylpropyl)quinazolin-4-amine
CID 113484441
4-[(2-chloroquinazolin-4-yl)amino]-3-methylbutan-1-ol
CID 66109317
(1S)-1-(4-fluorophenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine
CID 52680047
(1R)-N,N-dimethyl-N'-(4-methylquinolin-2-yl)-1-phenylethane-1,2-diamine
CID 8850849
(1S)-N,N-dimethyl-N'-(4-methylquinolin-2-yl)-1-phenylethane-1,2-diamine
CID 8850851
5-[(2-chloroquinazolin-4-yl)amino]pentan-2-ol
CID 114148530
N-(2-chloroquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride
CID 21412321
2-chloro-N-(2-phenylsulfanylethyl)quinazolin-4-amine
CID 12827448
2-chloro-N-(3-methoxypropyl)quinazolin-4-amine
CID 22692600
2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-amine
CID 106405358

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloroquinazolin-4-yl)-N,N-dimethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N'-(2-chloroquinazolin-4-yl)-N,N-dimethyl-1-phenylethane-1,2-diamine (CID 121377379) is N'-(2-chloroquinazolin-4-yl)-N,N-dimethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-(2-chloroquinazolin-4-yl)-N,N-dimethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-(2-chloroquinazolin-4-yl)-N,N-dimethyl-1-phenylethane-1,2-diamine is CN(C)C(CNc1nc(Cl)nc2ccccc12)c1ccccc1.
What is the InChIKey of N'-(2-chloroquinazolin-4-yl)-N,N-dimethyl-1-phenylethane-1,2-diamine?
The InChIKey is QYAPRCZGUADQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4/c1-23(2)16(13-8-4-3-5-9-13)12-20-17-14-10-6-7-11-15(14)21-18(19)22-17/h3-11,16H,12H2,1-2H3,(H,20,21,22).
What are the key properties of N'-(2-chloroquinazolin-4-yl)-N,N-dimethyl-1-phenylethane-1,2-diamine?
N'-(2-chloroquinazolin-4-yl)-N,N-dimethyl-1-phenylethane-1,2-diamine has a molecular weight of 326.83 g/mol, XLogP of 4.00, 5 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-dimethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 121377379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).