N-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]prop-2-enamide

C18H22N6O2 — CID 166411504

IUPACN-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)NCC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1
InChIInChI=1S/C18H22N6O2/c1-2-16(25)20-11-17(26)24-9-7-23(8-10-24)12-15-21-14-6-4-3-5-13(14)18(19)22-15/h2-6H,1,7-12H2,(H,20,25)(H2,19,21,22)
InChIKeyFZASGZNUKRVJNM-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.16
Rot. Bonds5

About N-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]prop-2-enamide

N-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]prop-2-enamide (PubChem CID 166411504) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]prop-2-enamide
PubChem CID166411504
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC NameN-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)NCC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1
InChIInChI=1S/C18H22N6O2/c1-2-16(25)20-11-17(26)24-9-7-23(8-10-24)12-15-21-14-6-4-3-5-13(14)18(19)22-15/h2-6H,1,7-12H2,(H,20,25)(H2,19,21,22)
InChIKeyFZASGZNUKRVJNM-UHFFFAOYSA-N
XLogP0.16
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 37132816
N-[3-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 37129953
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 37129641
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 37132776
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 33120826
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]cyclopent-3-ene-1-carboxylic acid
CID 167806447
[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 34953369
cis-(1R,3S)-3-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065822
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
CID 37130459
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone
CID 37132587
[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 37131062
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 33120411

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]prop-2-enamide?
The IUPAC name of N-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]prop-2-enamide (CID 166411504) is N-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]prop-2-enamide?
The canonical SMILES for N-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]prop-2-enamide is C=CC(=O)NCC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1.
What is the InChIKey of N-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]prop-2-enamide?
The InChIKey is FZASGZNUKRVJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-2-16(25)20-11-17(26)24-9-7-23(8-10-24)12-15-21-14-6-4-3-5-13(14)18(19)22-15/h2-6H,1,7-12H2,(H,20,25)(H2,19,21,22).
What are the key properties of N-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]prop-2-enamide?
N-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]prop-2-enamide has a molecular weight of 354.41 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 166411504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).