4-N-(3-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazoline-4,6-diamine

C17H16ClFN4O2 — CID 142692093

IUPAC4-N-(3-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazoline-4,6-diamine
SMILESCOCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1N
InChIInChI=1S/C17H16ClFN4O2/c1-24-5-6-25-15-8-14-10(7-12(15)20)17(22-9-21-14)23-13-4-2-3-11(18)16(13)19/h2-4,7-9H,5-6,20H2,1H3,(H,21,22,23)
InChIKeyROKKWXGJNDMMGE-UHFFFAOYSA-N
MW362.79 g/mol
LogP3.77
Rot. Bonds6

About 4-N-(3-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazoline-4,6-diamine

4-N-(3-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazoline-4,6-diamine (PubChem CID 142692093) has the molecular formula C17H16ClFN4O2 and a molecular weight of 362.79 g/mol. Its IUPAC name is 4-N-(3-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazoline-4,6-diamine
PubChem CID142692093
Molecular FormulaC17H16ClFN4O2
Molecular Weight362.79 g/mol
Exact Mass362.09
IUPAC Name4-N-(3-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazoline-4,6-diamine
SMILESCOCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1N
InChIInChI=1S/C17H16ClFN4O2/c1-24-5-6-25-15-8-14-10(7-12(15)20)17(22-9-21-14)23-13-4-2-3-11(18)16(13)19/h2-4,7-9H,5-6,20H2,1H3,(H,21,22,23)
InChIKeyROKKWXGJNDMMGE-UHFFFAOYSA-N
XLogP3.77
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.79
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[4-(3-chloro-2-fluoroanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]methyl-methylamino]propanamide
CID 11698329
4-N-(4-bromo-2-fluorophenyl)-7-(2-methoxyethoxy)quinazoline-4,6-diamine
CID 90746816
4-N-(3-chloro-2-fluorophenyl)-7-[2-(difluoromethoxy)ethoxy]-6-N-methoxyquinazoline-4,6-diamine
CID 145347225
N-(3-chloro-2-fluorophenyl)-6-(chloromethyl)-7-methoxyquinazolin-4-amine;ethane
CID 143086548
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(methylaminomethyl)quinazolin-4-amine
CID 141120249
(2S)-N-[4-(3-chloro-2-fluoroanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]pyrrolidine-2-carboxamide
CID 69194881
4-N-(3-chloro-4-fluorophenyl)-7-(3-methoxypropoxy)quinazoline-4,6-diamine
CID 118900258
2-amino-N-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl]acetamide
CID 69047706
4-N-(3,4-dichloro-2-fluorophenyl)-7-methoxyquinazoline-4,6-diamine;hydrochloride
CID 174765218
3-amino-N-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl]propanamide
CID 69048732
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]quinazolin-4-amine
CID 10391639
4-N-(4,5-dichloro-2-fluorophenyl)-7-(2-ethoxyethoxy)quinazoline-4,6-diamine
CID 69320196

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazoline-4,6-diamine?
The IUPAC name of 4-N-(3-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazoline-4,6-diamine (CID 142692093) is 4-N-(3-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(3-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(3-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazoline-4,6-diamine is COCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1N.
What is the InChIKey of 4-N-(3-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazoline-4,6-diamine?
The InChIKey is ROKKWXGJNDMMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O2/c1-24-5-6-25-15-8-14-10(7-12(15)20)17(22-9-21-14)23-13-4-2-3-11(18)16(13)19/h2-4,7-9H,5-6,20H2,1H3,(H,21,22,23).
What are the key properties of 4-N-(3-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazoline-4,6-diamine?
4-N-(3-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazoline-4,6-diamine has a molecular weight of 362.79 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazoline-4,6-diamine is sourced from PubChem (CID 142692093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).