2-chloro-N-(2-ethoxyethyl)-N-ethylquinazolin-4-amine

C14H18ClN3O — CID 63692737

IUPAC2-chloro-N-(2-ethoxyethyl)-N-ethylquinazolin-4-amine
SMILESCCOCCN(CC)c1nc(Cl)nc2ccccc12
InChIInChI=1S/C14H18ClN3O/c1-3-18(9-10-19-4-2)13-11-7-5-6-8-12(11)16-14(15)17-13/h5-8H,3-4,9-10H2,1-2H3
InChIKeyAEMBPWLGKLTRCI-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.15
Rot. Bonds6

About 2-chloro-N-(2-ethoxyethyl)-N-ethylquinazolin-4-amine

2-chloro-N-(2-ethoxyethyl)-N-ethylquinazolin-4-amine (PubChem CID 63692737) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-chloro-N-(2-ethoxyethyl)-N-ethylquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-ethoxyethyl)-N-ethylquinazolin-4-amine
PubChem CID63692737
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-chloro-N-(2-ethoxyethyl)-N-ethylquinazolin-4-amine
SMILESCCOCCN(CC)c1nc(Cl)nc2ccccc12
InChIInChI=1S/C14H18ClN3O/c1-3-18(9-10-19-4-2)13-11-7-5-6-8-12(11)16-14(15)17-13/h5-8H,3-4,9-10H2,1-2H3
InChIKeyAEMBPWLGKLTRCI-UHFFFAOYSA-N
XLogP3.15
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-chloroquinazolin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995601
2-chloro-N-ethyl-N-(2-ethylbutyl)quinazolin-4-amine
CID 63550299
2-chloro-N,N-bis(2-methylpropyl)quinazolin-4-amine
CID 22693267
2-chloro-N-(cyclopropylmethyl)-N-propylquinazolin-4-amine
CID 55081167
6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 63692736
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-[[2-(4-chlorophenyl)quinazolin-4-yl]-ethylamino]ethanol
CID 23988114
2-chloro-N-methyl-N-(2-methylbutyl)quinazolin-4-amine
CID 62477689
2-(4-chlorophenyl)-N,N-diethylquinazolin-4-amine
CID 899344
2-chloro-4-propoxyquinazoline
CID 62477512
4-chloro-N,N-diethylquinazolin-2-amine
CID 10933458

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethoxyethyl)-N-ethylquinazolin-4-amine?
The IUPAC name of 2-chloro-N-(2-ethoxyethyl)-N-ethylquinazolin-4-amine (CID 63692737) is 2-chloro-N-(2-ethoxyethyl)-N-ethylquinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-ethoxyethyl)-N-ethylquinazolin-4-amine?
The canonical SMILES for 2-chloro-N-(2-ethoxyethyl)-N-ethylquinazolin-4-amine is CCOCCN(CC)c1nc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-(2-ethoxyethyl)-N-ethylquinazolin-4-amine?
The InChIKey is AEMBPWLGKLTRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-3-18(9-10-19-4-2)13-11-7-5-6-8-12(11)16-14(15)17-13/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 2-chloro-N-(2-ethoxyethyl)-N-ethylquinazolin-4-amine?
2-chloro-N-(2-ethoxyethyl)-N-ethylquinazolin-4-amine has a molecular weight of 279.77 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethoxyethyl)-N-ethylquinazolin-4-amine is sourced from PubChem (CID 63692737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).