N'-methyl-N-propyl-N'-quinazolin-4-ylethane-1,2-diamine

C14H20N4 — CID 62593023

IUPACN'-methyl-N-propyl-N'-quinazolin-4-ylethane-1,2-diamine
SMILESCCCNCCN(C)c1ncnc2ccccc12
InChIInChI=1S/C14H20N4/c1-3-8-15-9-10-18(2)14-12-6-4-5-7-13(12)16-11-17-14/h4-7,11,15H,3,8-10H2,1-2H3
InChIKeyNPRVCRMSWSOGFH-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.07
Rot. Bonds6

About N'-methyl-N-propyl-N'-quinazolin-4-ylethane-1,2-diamine

N'-methyl-N-propyl-N'-quinazolin-4-ylethane-1,2-diamine (PubChem CID 62593023) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N'-methyl-N-propyl-N'-quinazolin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-propyl-N'-quinazolin-4-ylethane-1,2-diamine
PubChem CID62593023
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN'-methyl-N-propyl-N'-quinazolin-4-ylethane-1,2-diamine
SMILESCCCNCCN(C)c1ncnc2ccccc12
InChIInChI=1S/C14H20N4/c1-3-8-15-9-10-18(2)14-12-6-4-5-7-13(12)16-11-17-14/h4-7,11,15H,3,8-10H2,1-2H3
InChIKeyNPRVCRMSWSOGFH-UHFFFAOYSA-N
XLogP2.07
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-propyl-N'-quinolin-4-ylethane-1,2-diamine
CID 62593732
3-[methyl(quinazolin-4-yl)amino]propanenitrile
CID 60726113
4-[methyl(quinazolin-4-yl)amino]butan-2-ol
CID 115658266
N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylethane-1,2-diamine
CID 63618416
N-methyl-N-[2-(2-methylphenoxy)ethyl]quinazolin-4-amine
CID 12797563
N,N-dimethylquinazolin-4-amine;hydrochloride
CID 174283261
N-butyl-N-ethylquinazolin-4-amine
CID 110433588
N-[2-(4-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine
CID 163348860
N'-(3-chloro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62591421
4-[2-[methyl(quinazolin-4-yl)amino]ethyl]benzene-1,2-diol
CID 56840778
N'-furo[3,2-c]pyridin-4-yl-N'-methyl-N-propylethane-1,2-diamine
CID 106535582
ethyl 2-[methyl(quinazolin-4-yl)amino]acetate
CID 62006339

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-propyl-N'-quinazolin-4-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N-propyl-N'-quinazolin-4-ylethane-1,2-diamine (CID 62593023) is N'-methyl-N-propyl-N'-quinazolin-4-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-propyl-N'-quinazolin-4-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-propyl-N'-quinazolin-4-ylethane-1,2-diamine is CCCNCCN(C)c1ncnc2ccccc12.
What is the InChIKey of N'-methyl-N-propyl-N'-quinazolin-4-ylethane-1,2-diamine?
The InChIKey is NPRVCRMSWSOGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-8-15-9-10-18(2)14-12-6-4-5-7-13(12)16-11-17-14/h4-7,11,15H,3,8-10H2,1-2H3.
What are the key properties of N'-methyl-N-propyl-N'-quinazolin-4-ylethane-1,2-diamine?
N'-methyl-N-propyl-N'-quinazolin-4-ylethane-1,2-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-propyl-N'-quinazolin-4-ylethane-1,2-diamine is sourced from PubChem (CID 62593023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).