2-chloro-N-[4-(3-iodoanilino)quinazolin-6-yl]acetamide

C16H12ClIN4O — CID 10320940

IUPAC2-chloro-N-[4-(3-iodoanilino)quinazolin-6-yl]acetamide
SMILESO=C(CCl)Nc1ccc2ncnc(Nc3cccc(I)c3)c2c1
InChIInChI=1S/C16H12ClIN4O/c17-8-15(23)21-12-4-5-14-13(7-12)16(20-9-19-14)22-11-3-1-2-10(18)6-11/h1-7,9H,8H2,(H,21,23)(H,19,20,22)
InChIKeyLANYSJQMFCSMRS-UHFFFAOYSA-N
MW438.66 g/mol
LogP4.16
Rot. Bonds4

About 2-chloro-N-[4-(3-iodoanilino)quinazolin-6-yl]acetamide

2-chloro-N-[4-(3-iodoanilino)quinazolin-6-yl]acetamide (PubChem CID 10320940) has the molecular formula C16H12ClIN4O and a molecular weight of 438.66 g/mol. Its IUPAC name is 2-chloro-N-[4-(3-iodoanilino)quinazolin-6-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(3-iodoanilino)quinazolin-6-yl]acetamide
PubChem CID10320940
Molecular FormulaC16H12ClIN4O
Molecular Weight438.66 g/mol
Exact Mass437.97
IUPAC Name2-chloro-N-[4-(3-iodoanilino)quinazolin-6-yl]acetamide
SMILESO=C(CCl)Nc1ccc2ncnc(Nc3cccc(I)c3)c2c1
InChIInChI=1S/C16H12ClIN4O/c17-8-15(23)21-12-4-5-14-13(7-12)16(20-9-19-14)22-11-3-1-2-10(18)6-11/h1-7,9H,8H2,(H,21,23)(H,19,20,22)
InChIKeyLANYSJQMFCSMRS-UHFFFAOYSA-N
XLogP4.16
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.66
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pd 168393
CID 4708
N-(4-((4,5-dichloro-2-fluorophenyl)amino)quinazolin-6-yl)acrylamide
CID 10362209
N-(4-((3-bromophenyl)amino)-6-quinazolinyl)-2-butynamide
CID 2776
N-(4-m-Tolylamino-quinazolin-6-yl)-acrylamide
CID 9995195
N-(4-Phenylamino-quinazolin-6-YL)-acrylamide
CID 10401956
4-Anilinoquinazoline
CID 324081
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
PD 174265
CID 4709
N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-[methyl(prop-2-en-1-yl)amino]but-2-ynamide
CID 5328959
(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}but-2-enamide
CID 5328982
N-(4-(3-Chloro-4-fluorophenylamino)quinazolin-6-yl)acrylamide
CID 9974694
2-Chloro-N-(4-((4,5-dichloro-2-fluorophenyl)amino)quinazolin-6-yl)acetamide
CID 9952784

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(3-iodoanilino)quinazolin-6-yl]acetamide?
The IUPAC name of 2-chloro-N-[4-(3-iodoanilino)quinazolin-6-yl]acetamide (CID 10320940) is 2-chloro-N-[4-(3-iodoanilino)quinazolin-6-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(3-iodoanilino)quinazolin-6-yl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(3-iodoanilino)quinazolin-6-yl]acetamide is O=C(CCl)Nc1ccc2ncnc(Nc3cccc(I)c3)c2c1.
What is the InChIKey of 2-chloro-N-[4-(3-iodoanilino)quinazolin-6-yl]acetamide?
The InChIKey is LANYSJQMFCSMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClIN4O/c17-8-15(23)21-12-4-5-14-13(7-12)16(20-9-19-14)22-11-3-1-2-10(18)6-11/h1-7,9H,8H2,(H,21,23)(H,19,20,22).
What are the key properties of 2-chloro-N-[4-(3-iodoanilino)quinazolin-6-yl]acetamide?
2-chloro-N-[4-(3-iodoanilino)quinazolin-6-yl]acetamide has a molecular weight of 438.66 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(3-iodoanilino)quinazolin-6-yl]acetamide is sourced from PubChem (CID 10320940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).