2-amino-N-[4-(2,3-dimethylpyrrol-1-yl)-2-(2-fluorophenyl)quinazolin-6-yl]acetamide;N-methylmethanimine

C24H25FN6O — CID 142940524

IUPAC2-amino-N-[4-(2,3-dimethylpyrrol-1-yl)-2-(2-fluorophenyl)quinazolin-6-yl]acetamide;N-methylmethanimine
SMILESC=NC.Cc1ccn(-c2nc(-c3ccccc3F)nc3ccc(NC(=O)CN)cc23)c1C
InChIInChI=1S/C22H20FN5O.C2H5N/c1-13-9-10-28(14(13)2)22-17-11-15(25-20(29)12-24)7-8-19(17)26-21(27-22)16-5-3-4-6-18(16)23;1-3-2/h3-11H,12,24H2,1-2H3,(H,25,29);1H2,2H3
InChIKeyGZLRFSWIBPQPDS-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.06
Rot. Bonds4

About 2-amino-N-[4-(2,3-dimethylpyrrol-1-yl)-2-(2-fluorophenyl)quinazolin-6-yl]acetamide;N-methylmethanimine

2-amino-N-[4-(2,3-dimethylpyrrol-1-yl)-2-(2-fluorophenyl)quinazolin-6-yl]acetamide;N-methylmethanimine (PubChem CID 142940524) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is 2-amino-N-[4-(2,3-dimethylpyrrol-1-yl)-2-(2-fluorophenyl)quinazolin-6-yl]acetamide;N-methylmethanimine.

Molecular Properties

Compound Name2-amino-N-[4-(2,3-dimethylpyrrol-1-yl)-2-(2-fluorophenyl)quinazolin-6-yl]acetamide;N-methylmethanimine
PubChem CID142940524
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name2-amino-N-[4-(2,3-dimethylpyrrol-1-yl)-2-(2-fluorophenyl)quinazolin-6-yl]acetamide;N-methylmethanimine
SMILESC=NC.Cc1ccn(-c2nc(-c3ccccc3F)nc3ccc(NC(=O)CN)cc23)c1C
InChIInChI=1S/C22H20FN5O.C2H5N/c1-13-9-10-28(14(13)2)22-17-11-15(25-20(29)12-24)7-8-19(17)26-21(27-22)16-5-3-4-6-18(16)23;1-3-2/h3-11H,12,24H2,1-2H3,(H,25,29);1H2,2H3
InChIKeyGZLRFSWIBPQPDS-UHFFFAOYSA-N
XLogP4.06
TPSA98.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(6,11-dimethylindolo[2,3-b]quinolin-2-yl)acetamide
CID 25147213
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CID 177344828
N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-2-fluorobenzamide
CID 39185468
2-amino-N-(3,4-difluorophenyl)acetamide
CID 2410802
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CID 155589240
N-[3-[2-(2-fluorophenyl)quinazolin-4-yl]oxyphenyl]acetamide
CID 2929675
N-[2,6-bis(2-fluorophenyl)pyrimidin-4-yl]butanamide
CID 50940989
N-(3-chloro-4-methylphenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330752
2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 16875859
2-amino-N-(3-amino-4-methylphenyl)acetamide
CID 146654157
2-amino-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 43713144
3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride
CID 75530834

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(2,3-dimethylpyrrol-1-yl)-2-(2-fluorophenyl)quinazolin-6-yl]acetamide;N-methylmethanimine?
The IUPAC name of 2-amino-N-[4-(2,3-dimethylpyrrol-1-yl)-2-(2-fluorophenyl)quinazolin-6-yl]acetamide;N-methylmethanimine (CID 142940524) is 2-amino-N-[4-(2,3-dimethylpyrrol-1-yl)-2-(2-fluorophenyl)quinazolin-6-yl]acetamide;N-methylmethanimine.
What is the SMILES notation for 2-amino-N-[4-(2,3-dimethylpyrrol-1-yl)-2-(2-fluorophenyl)quinazolin-6-yl]acetamide;N-methylmethanimine?
The canonical SMILES for 2-amino-N-[4-(2,3-dimethylpyrrol-1-yl)-2-(2-fluorophenyl)quinazolin-6-yl]acetamide;N-methylmethanimine is C=NC.Cc1ccn(-c2nc(-c3ccccc3F)nc3ccc(NC(=O)CN)cc23)c1C.
What is the InChIKey of 2-amino-N-[4-(2,3-dimethylpyrrol-1-yl)-2-(2-fluorophenyl)quinazolin-6-yl]acetamide;N-methylmethanimine?
The InChIKey is GZLRFSWIBPQPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O.C2H5N/c1-13-9-10-28(14(13)2)22-17-11-15(25-20(29)12-24)7-8-19(17)26-21(27-22)16-5-3-4-6-18(16)23;1-3-2/h3-11H,12,24H2,1-2H3,(H,25,29);1H2,2H3.
What are the key properties of 2-amino-N-[4-(2,3-dimethylpyrrol-1-yl)-2-(2-fluorophenyl)quinazolin-6-yl]acetamide;N-methylmethanimine?
2-amino-N-[4-(2,3-dimethylpyrrol-1-yl)-2-(2-fluorophenyl)quinazolin-6-yl]acetamide;N-methylmethanimine has a molecular weight of 432.50 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(2,3-dimethylpyrrol-1-yl)-2-(2-fluorophenyl)quinazolin-6-yl]acetamide;N-methylmethanimine is sourced from PubChem (CID 142940524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).