N-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine

C20H22ClN3O4 — CID 139073723

IUPACN-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
SMILESCOCCOc1cc2ncnc(Nc3ccc(Cl)cc3)c2cc1OCCOC
InChIInChI=1S/C20H22ClN3O4/c1-25-7-9-27-18-11-16-17(12-19(18)28-10-8-26-2)22-13-23-20(16)24-15-5-3-14(21)4-6-15/h3-6,11-13H,7-10H2,1-2H3,(H,22,23,24)
InChIKeyWUZMHPOFEKILPW-UHFFFAOYSA-N
MW403.87 g/mol
LogP4.08
Rot. Bonds10

About N-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine

N-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine (PubChem CID 139073723) has the molecular formula C20H22ClN3O4 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
PubChem CID139073723
Molecular FormulaC20H22ClN3O4
Molecular Weight403.87 g/mol
Exact Mass403.13
IUPAC NameN-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
SMILESCOCCOc1cc2ncnc(Nc3ccc(Cl)cc3)c2cc1OCCOC
InChIInChI=1S/C20H22ClN3O4/c1-25-7-9-27-18-11-16-17(12-19(18)28-10-8-26-2)22-13-23-20(16)24-15-5-3-14(21)4-6-15/h3-6,11-13H,7-10H2,1-2H3,(H,22,23,24)
InChIKeyWUZMHPOFEKILPW-UHFFFAOYSA-N
XLogP4.08
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine
CID 171420006
6,7-bis(2-methoxyethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine
CID 141410537
[[4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-hydroxyphosphoryl]methylphosphonic acid
CID 10301892
tert-butyl N-[4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]carbamate
CID 171419876
6-(2-ethoxyethoxy)-N-(4-ethynylphenyl)-7-(2-methoxyethoxy)quinazolin-4-amine
CID 143713379
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine
CID 59772897
N-(3-tert-butylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;ethane
CID 142379522
ethyl 7-[4-(3-chloro-4-fluoroanilino)-6-(2-methoxyethoxy)quinazolin-7-yl]oxyheptanoate
CID 69009484
N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-(2-(111C)methoxyethoxy)quinazolin-4-amine
CID 44625620
N-(1-adamantyl)-4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]benzamide
CID 127042644
N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;silver
CID 175128959
4-N-(3-chloro-4-fluorophenyl)-7-(3-methoxypropoxy)quinazoline-4,6-diamine
CID 118900258

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine (CID 139073723) is N-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine is COCCOc1cc2ncnc(Nc3ccc(Cl)cc3)c2cc1OCCOC.
What is the InChIKey of N-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine?
The InChIKey is WUZMHPOFEKILPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4/c1-25-7-9-27-18-11-16-17(12-19(18)28-10-8-26-2)22-13-23-20(16)24-15-5-3-14(21)4-6-15/h3-6,11-13H,7-10H2,1-2H3,(H,22,23,24).
What are the key properties of N-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine?
N-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine has a molecular weight of 403.87 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine is sourced from PubChem (CID 139073723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).