7-chloro-N-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine

C16H15Cl2N3O — CID 58751941

IUPAC7-chloro-N-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine
SMILESClc1ccc2c(c1)NC(NCCOc1ccccc1Cl)=NC2
InChIInChI=1S/C16H15Cl2N3O/c17-12-6-5-11-10-20-16(21-14(11)9-12)19-7-8-22-15-4-2-1-3-13(15)18/h1-6,9H,7-8,10H2,(H2,19,20,21)
InChIKeyGHAYKVZZJBEPQE-UHFFFAOYSA-N
MW336.22 g/mol
LogP3.94
Rot. Bonds4

About 7-chloro-N-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine

7-chloro-N-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine (PubChem CID 58751941) has the molecular formula C16H15Cl2N3O and a molecular weight of 336.22 g/mol. Its IUPAC name is 7-chloro-N-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine.

Molecular Properties

Compound Name7-chloro-N-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine
PubChem CID58751941
Molecular FormulaC16H15Cl2N3O
Molecular Weight336.22 g/mol
Exact Mass335.06
IUPAC Name7-chloro-N-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine
SMILESClc1ccc2c(c1)NC(NCCOc1ccccc1Cl)=NC2
InChIInChI=1S/C16H15Cl2N3O/c17-12-6-5-11-10-20-16(21-14(11)9-12)19-7-8-22-15-4-2-1-3-13(15)18/h1-6,9H,7-8,10H2,(H2,19,20,21)
InChIKeyGHAYKVZZJBEPQE-UHFFFAOYSA-N
XLogP3.94
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 53.94
H-Bond Donors ≤ 52
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-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine
CID 15602936
2-[2-(1,4-dihydroquinazolin-2-ylamino)ethoxy]benzonitrile
CID 15603126
N-[2-(2-chlorophenoxy)ethyl]aniline
CID 19079516
N'-[2-(2-chlorophenoxy)ethyl]ethane-1,2-diamine
CID 69274969
N-[2-(2-chlorophenoxy)ethyl]-3,5-dimethylaniline
CID 54796846
N-[2-(2,5-dichlorophenoxy)ethyl]-4-fluoroaniline
CID 63505890
3-(2-chlorophenoxy)-N-propylpropan-1-amine
CID 29015603
1-[3-(2-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]urea
CID 108883382
2-[2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-7-chloro-1,4-dihydroquinazoline
CID 173220691
3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide
CID 113099351
5-chloro-2-methyl-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54798398
N-[2-(2,4-dichlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline
CID 54801778

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine?
The IUPAC name of 7-chloro-N-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine (CID 58751941) is 7-chloro-N-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine.
What is the SMILES notation for 7-chloro-N-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine?
The canonical SMILES for 7-chloro-N-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine is Clc1ccc2c(c1)NC(NCCOc1ccccc1Cl)=NC2.
What is the InChIKey of 7-chloro-N-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine?
The InChIKey is GHAYKVZZJBEPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O/c17-12-6-5-11-10-20-16(21-14(11)9-12)19-7-8-22-15-4-2-1-3-13(15)18/h1-6,9H,7-8,10H2,(H2,19,20,21).
What are the key properties of 7-chloro-N-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine?
7-chloro-N-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine has a molecular weight of 336.22 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-(2-chlorophenoxy)ethyl]-1,4-dihydroquinazolin-2-amine is sourced from PubChem (CID 58751941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).