N-(3-chloro-4-fluorophenyl)-7-[2-(dimethylamino)ethoxy]-6-iodoquinazolin-4-amine

C18H17ClFIN4O — CID 147828198

IUPACN-(3-chloro-4-fluorophenyl)-7-[2-(dimethylamino)ethoxy]-6-iodoquinazolin-4-amine
SMILESCN(C)CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1I
InChIInChI=1S/C18H17ClFIN4O/c1-25(2)5-6-26-17-9-16-12(8-15(17)21)18(23-10-22-16)24-11-3-4-14(20)13(19)7-11/h3-4,7-10H,5-6H2,1-2H3,(H,22,23,24)
InChIKeyHQOKKJKJBZENKB-UHFFFAOYSA-N
MW486.72 g/mol
LogP4.71
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-7-[2-(dimethylamino)ethoxy]-6-iodoquinazolin-4-amine

N-(3-chloro-4-fluorophenyl)-7-[2-(dimethylamino)ethoxy]-6-iodoquinazolin-4-amine (PubChem CID 147828198) has the molecular formula C18H17ClFIN4O and a molecular weight of 486.72 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-7-[2-(dimethylamino)ethoxy]-6-iodoquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-7-[2-(dimethylamino)ethoxy]-6-iodoquinazolin-4-amine
PubChem CID147828198
Molecular FormulaC18H17ClFIN4O
Molecular Weight486.72 g/mol
Exact Mass486.01
IUPAC NameN-(3-chloro-4-fluorophenyl)-7-[2-(dimethylamino)ethoxy]-6-iodoquinazolin-4-amine
SMILESCN(C)CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1I
InChIInChI=1S/C18H17ClFIN4O/c1-25(2)5-6-26-17-9-16-12(8-15(17)21)18(23-10-22-16)24-11-3-4-14(20)13(19)7-11/h3-4,7-10H,5-6H2,1-2H3,(H,22,23,24)
InChIKeyHQOKKJKJBZENKB-UHFFFAOYSA-N
XLogP4.71
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.72
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-fluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine
CID 19077498
N-(3-chloro-4-fluorophenyl)-6-[2-(dimethylamino)ethyl]-7-methoxyquinazolin-4-amine
CID 54366101
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine
CID 59772897
4-N-(3-chloro-4-fluorophenyl)-7-(2-fluoroethoxy)quinazoline-4,6-diamine
CID 87059147
7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 19001458
4-N-(3-chloro-4-fluorophenyl)-7-(3-methoxypropoxy)quinazoline-4,6-diamine
CID 118900258
N-[4-(3-chloro-4-fluoroanilino)-7-(3-chloropropoxy)quinazolin-6-yl]acetamide
CID 90322885
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-prop-2-enoxyquinazolin-4-amine
CID 21098401
N-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-4-[2-(dimethylamino)ethoxy]-2-fluoro-3-methylbutanamide
CID 144516017
4-(3-chloro-4-fluoroanilino)-6-[2-(difluoromethoxy)ethoxy]quinazolin-7-ol
CID 137150071
N-(3-chloro-4-fluorophenyl)-6-(ethoxymethoxy)-7-methoxyquinazolin-4-amine
CID 150119813
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 19077516

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-7-[2-(dimethylamino)ethoxy]-6-iodoquinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-7-[2-(dimethylamino)ethoxy]-6-iodoquinazolin-4-amine (CID 147828198) is N-(3-chloro-4-fluorophenyl)-7-[2-(dimethylamino)ethoxy]-6-iodoquinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-7-[2-(dimethylamino)ethoxy]-6-iodoquinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-7-[2-(dimethylamino)ethoxy]-6-iodoquinazolin-4-amine is CN(C)CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1I.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-7-[2-(dimethylamino)ethoxy]-6-iodoquinazolin-4-amine?
The InChIKey is HQOKKJKJBZENKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFIN4O/c1-25(2)5-6-26-17-9-16-12(8-15(17)21)18(23-10-22-16)24-11-3-4-14(20)13(19)7-11/h3-4,7-10H,5-6H2,1-2H3,(H,22,23,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-7-[2-(dimethylamino)ethoxy]-6-iodoquinazolin-4-amine?
N-(3-chloro-4-fluorophenyl)-7-[2-(dimethylamino)ethoxy]-6-iodoquinazolin-4-amine has a molecular weight of 486.72 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-7-[2-(dimethylamino)ethoxy]-6-iodoquinazolin-4-amine is sourced from PubChem (CID 147828198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).