N-[4-(3-methylanilino)quinazolin-6-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide

C23H28N6O — CID 143921739

IUPACN-[4-(3-methylanilino)quinazolin-6-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
SMILESCc1cccc(Nc2ncnc3ccc(NC(=O)CN4CCCN(C)CC4)cc23)c1
InChIInChI=1S/C23H28N6O/c1-17-5-3-6-18(13-17)27-23-20-14-19(7-8-21(20)24-16-25-23)26-22(30)15-29-10-4-9-28(2)11-12-29/h3,5-8,13-14,16H,4,9-12,15H2,1-2H3,(H,26,30)(H,24,25,27)
InChIKeyLZZHQVGKSUUIRN-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.26
Rot. Bonds5

About N-[4-(3-methylanilino)quinazolin-6-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide

N-[4-(3-methylanilino)quinazolin-6-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide (PubChem CID 143921739) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is N-[4-(3-methylanilino)quinazolin-6-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(3-methylanilino)quinazolin-6-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
PubChem CID143921739
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC NameN-[4-(3-methylanilino)quinazolin-6-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
SMILESCc1cccc(Nc2ncnc3ccc(NC(=O)CN4CCCN(C)CC4)cc23)c1
InChIInChI=1S/C23H28N6O/c1-17-5-3-6-18(13-17)27-23-20-14-19(7-8-21(20)24-16-25-23)26-22(30)15-29-10-4-9-28(2)11-12-29/h3,5-8,13-14,16H,4,9-12,15H2,1-2H3,(H,26,30)(H,24,25,27)
InChIKeyLZZHQVGKSUUIRN-UHFFFAOYSA-N
XLogP3.26
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3-bromoanilino)quinazolin-6-yl]-3-(4-methylpiperazin-1-yl)propanamide
CID 46831435
N-[4-[3-chloro-4-(3-methylphenoxy)anilino]quinazolin-6-yl]-2-morpholin-4-ylacetamide
CID 162674719
N-[4-(3-ethynylanilino)quinazolin-6-yl]-2-(4-heptan-4-ylpiperazin-1-yl)acetamide
CID 44599638
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
(E)-4-(dimethylamino)-N-[4-(3-methylanilino)quinazolin-6-yl]but-2-enamide
CID 71215453
N-[4-(3-ethenylanilino)quinazolin-6-yl]-2-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)acetamide
CID 91299879
N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propanamide
CID 11650159
N-[4-(3-ethynylanilino)quinazolin-6-yl]-2-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)acetamide
CID 44599964
N-[4-(3-ethynylanilino)quinazolin-6-yl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide
CID 59142799
N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 59142757
N-[4-(3-bromoanilino)quinazolin-6-yl]-2-(1-methylpiperidin-4-ylidene)acetamide
CID 59382717
1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(4-methylpiperazin-1-yl)propan-2-one
CID 157095642

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylanilino)quinazolin-6-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-[4-(3-methylanilino)quinazolin-6-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide (CID 143921739) is N-[4-(3-methylanilino)quinazolin-6-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-[4-(3-methylanilino)quinazolin-6-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-[4-(3-methylanilino)quinazolin-6-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide is Cc1cccc(Nc2ncnc3ccc(NC(=O)CN4CCCN(C)CC4)cc23)c1.
What is the InChIKey of N-[4-(3-methylanilino)quinazolin-6-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The InChIKey is LZZHQVGKSUUIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-17-5-3-6-18(13-17)27-23-20-14-19(7-8-21(20)24-16-25-23)26-22(30)15-29-10-4-9-28(2)11-12-29/h3,5-8,13-14,16H,4,9-12,15H2,1-2H3,(H,26,30)(H,24,25,27).
What are the key properties of N-[4-(3-methylanilino)quinazolin-6-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
N-[4-(3-methylanilino)quinazolin-6-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide has a molecular weight of 404.52 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylanilino)quinazolin-6-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 143921739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).