2-chloro-N-ethyl-N-(2-ethylbutyl)quinazolin-4-amine

C16H22ClN3 — CID 63550299

IUPAC2-chloro-N-ethyl-N-(2-ethylbutyl)quinazolin-4-amine
SMILESCCC(CC)CN(CC)c1nc(Cl)nc2ccccc12
InChIInChI=1S/C16H22ClN3/c1-4-12(5-2)11-20(6-3)15-13-9-7-8-10-14(13)18-16(17)19-15/h7-10,12H,4-6,11H2,1-3H3
InChIKeyDUDPESGHOXUFMI-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.55
Rot. Bonds6

About 2-chloro-N-ethyl-N-(2-ethylbutyl)quinazolin-4-amine

2-chloro-N-ethyl-N-(2-ethylbutyl)quinazolin-4-amine (PubChem CID 63550299) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(2-ethylbutyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(2-ethylbutyl)quinazolin-4-amine
PubChem CID63550299
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name2-chloro-N-ethyl-N-(2-ethylbutyl)quinazolin-4-amine
SMILESCCC(CC)CN(CC)c1nc(Cl)nc2ccccc12
InChIInChI=1S/C16H22ClN3/c1-4-12(5-2)11-20(6-3)15-13-9-7-8-10-14(13)18-16(17)19-15/h7-10,12H,4-6,11H2,1-3H3
InChIKeyDUDPESGHOXUFMI-UHFFFAOYSA-N
XLogP4.55
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N,N-bis(2-methylpropyl)quinazolin-4-amine
CID 22693267
N'-(2-chloroquinazolin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995601
2-chloro-N-methyl-N-(2-methylbutyl)quinazolin-4-amine
CID 62477689
2-chloro-N-(2-ethoxyethyl)-N-ethylquinazolin-4-amine
CID 63692737
2-chloro-N-ethyl-N-(2-ethylbutyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320887
[2-[ethyl(2-ethylbutyl)amino]quinolin-4-yl]methanol
CID 63445930
2-chloro-N,N-bis(prop-2-enyl)quinazolin-4-amine
CID 18326542
2-chloro-N-ethyl-N-(2-methylphenyl)quinazolin-4-amine
CID 63548184
2-chloro-N-(cyclopropylmethyl)-N-propylquinazolin-4-amine
CID 55081167
2-chloro-N-cyclopropyl-N-methylquinazolin-4-amine
CID 62476819
2-(4-chlorophenyl)-N,N-diethylquinazolin-4-amine
CID 899344
4-chloro-N,N-diethylquinazolin-2-amine
CID 10933458

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(2-ethylbutyl)quinazolin-4-amine?
The IUPAC name of 2-chloro-N-ethyl-N-(2-ethylbutyl)quinazolin-4-amine (CID 63550299) is 2-chloro-N-ethyl-N-(2-ethylbutyl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-ethyl-N-(2-ethylbutyl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-ethyl-N-(2-ethylbutyl)quinazolin-4-amine is CCC(CC)CN(CC)c1nc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-ethyl-N-(2-ethylbutyl)quinazolin-4-amine?
The InChIKey is DUDPESGHOXUFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-4-12(5-2)11-20(6-3)15-13-9-7-8-10-14(13)18-16(17)19-15/h7-10,12H,4-6,11H2,1-3H3.
What are the key properties of 2-chloro-N-ethyl-N-(2-ethylbutyl)quinazolin-4-amine?
2-chloro-N-ethyl-N-(2-ethylbutyl)quinazolin-4-amine has a molecular weight of 291.83 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(2-ethylbutyl)quinazolin-4-amine is sourced from PubChem (CID 63550299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).