N-(3-chloro-2-fluorophenyl)-6-(chloromethyl)-7-methoxyquinazolin-4-amine;ethane

C18H18Cl2FN3O — CID 143086548

IUPACN-(3-chloro-2-fluorophenyl)-6-(chloromethyl)-7-methoxyquinazolin-4-amine;ethane
SMILESCC.COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CCl
InChIInChI=1S/C16H12Cl2FN3O.C2H6/c1-23-14-6-13-10(5-9(14)7-17)16(21-8-20-13)22-12-4-2-3-11(18)15(12)19;1-2/h2-6,8H,7H2,1H3,(H,20,21,22);1-2H3
InChIKeyLEYWVULXXJUCSU-UHFFFAOYSA-N
MW382.27 g/mol
LogP5.94
Rot. Bonds4

About N-(3-chloro-2-fluorophenyl)-6-(chloromethyl)-7-methoxyquinazolin-4-amine;ethane

N-(3-chloro-2-fluorophenyl)-6-(chloromethyl)-7-methoxyquinazolin-4-amine;ethane (PubChem CID 143086548) has the molecular formula C18H18Cl2FN3O and a molecular weight of 382.27 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-6-(chloromethyl)-7-methoxyquinazolin-4-amine;ethane.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-6-(chloromethyl)-7-methoxyquinazolin-4-amine;ethane
PubChem CID143086548
Molecular FormulaC18H18Cl2FN3O
Molecular Weight382.27 g/mol
Exact Mass381.08
IUPAC NameN-(3-chloro-2-fluorophenyl)-6-(chloromethyl)-7-methoxyquinazolin-4-amine;ethane
SMILESCC.COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CCl
InChIInChI=1S/C16H12Cl2FN3O.C2H6/c1-23-14-6-13-10(5-9(14)7-17)16(21-8-20-13)22-12-4-2-3-11(18)15(12)19;1-2/h2-6,8H,7H2,1H3,(H,20,21,22);1-2H3
InChIKeyLEYWVULXXJUCSU-UHFFFAOYSA-N
XLogP5.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.27
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(methylaminomethyl)quinazolin-4-amine
CID 141120249
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[(propan-2-ylamino)methyl]quinazolin-4-amine
CID 69047474
2-amino-N-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl]acetamide
CID 69047706
3-amino-N-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl]propanamide
CID 69048732
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[[(3R)-1-methylpyrrolidin-3-yl]methyl]quinazolin-4-amine
CID 70870422
(2S)-N-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl]-2-(propan-2-ylamino)propanamide
CID 69046767
1-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl-methylamino]cyclopent-3-ene-1-carboxamide
CID 11597705
4-N-(3-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazoline-4,6-diamine
CID 142692093
N-[1-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl-ethylamino]cyclopropyl]formamide
CID 141260197
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[1-[methyl(propan-2-yl)amino]propan-2-yloxy]quinazolin-4-amine
CID 143021800
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-octan-4-yloxyquinazolin-4-amine
CID 143282534
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[(1-methylsulfonylpyrrolidin-3-yl)oxymethyl]quinazolin-4-amine
CID 142811674

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-6-(chloromethyl)-7-methoxyquinazolin-4-amine;ethane?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-6-(chloromethyl)-7-methoxyquinazolin-4-amine;ethane (CID 143086548) is N-(3-chloro-2-fluorophenyl)-6-(chloromethyl)-7-methoxyquinazolin-4-amine;ethane.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-6-(chloromethyl)-7-methoxyquinazolin-4-amine;ethane?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-6-(chloromethyl)-7-methoxyquinazolin-4-amine;ethane is CC.COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CCl.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-6-(chloromethyl)-7-methoxyquinazolin-4-amine;ethane?
The InChIKey is LEYWVULXXJUCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FN3O.C2H6/c1-23-14-6-13-10(5-9(14)7-17)16(21-8-20-13)22-12-4-2-3-11(18)15(12)19;1-2/h2-6,8H,7H2,1H3,(H,20,21,22);1-2H3.
What are the key properties of N-(3-chloro-2-fluorophenyl)-6-(chloromethyl)-7-methoxyquinazolin-4-amine;ethane?
N-(3-chloro-2-fluorophenyl)-6-(chloromethyl)-7-methoxyquinazolin-4-amine;ethane has a molecular weight of 382.27 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-6-(chloromethyl)-7-methoxyquinazolin-4-amine;ethane is sourced from PubChem (CID 143086548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).